Compounds, activity concentration at/below 1 uM for PubChem BioAssay ( - PubChem Compound - NCBI

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Items: 18

Select item 1375319531.

an image of a chemical structure CID 137531953

SCHEMBL20777218; PBZQONAPQNZDEX-CLBCXVIASA-N; BDBM563526 ...

MW:: 604.000
MF:: C₂₈H₂₅ClF₃N₅O₃S

IUPAC name:: 8-[4-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2...

Create Date:: 2019-03-23

CID:: 137531953

Summary Same Parent, Connectivity

Select item 1375318542.

an image of a chemical structure CID 137531854

SCHEMBL20777110; VVEXHDYBQYYFMG-WIOPSUGQSA-N; BDBM563509 ...

MW:: 590.000
MF:: C₂₈H₂₃ClF₃N₃O₄S

IUPAC name:: (2S)-2-amino-3-[4-[4-[(1R)-1-[4-chloro-2-(3,6-dihydro-2H-pyr...

Create Date:: 2019-03-23

CID:: 137531854

Summary Same Parent, Connectivity

Select item 1375318593.

an image of a chemical structure CID 137531859

SCHEMBL20777115; KAJJWJORNRYNTM-QIFMMXESSA-N; BDBM563506 ...

MW:: 553.000
MF:: C₂₆H₂₈ClF₃N₄O₄

IUPAC name:: (2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(3,6-dihydr...

Create Date:: 2019-03-23

CID:: 137531859

Summary Same Parent, Connectivity

Select item 1375318624.

an image of a chemical structure CID 137531862

SCHEMBL20777118; HYVUHABCVLASQY-NHXWLTBQSA-N; BDBM563541 ...

MW:: 565.000
MF:: C₂₇H₂₈ClF₃N₄O₄

IUPAC name:: 8-[2-amino-6-[(1R)-1-[4-chloro-2-(3,6-dihydro-2H-pyran-5-yl)...

Create Date:: 2019-03-23

CID:: 137531862

Summary Same Parent, Connectivity

Select item 1375318635.

an image of a chemical structure CID 137531863

SCHEMBL20777119; JUMFUJZCESUTFP-KMDAROACSA-N; BDBM563495 ...

MW:: 551.000
MF:: C₂₅H₂₆ClF₃N₆O₃

IUPAC name:: (2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methylpy...

Create Date:: 2019-03-23

CID:: 137531863

Summary Same Parent, Connectivity

Select item 1375318726.

an image of a chemical structure CID 137531872

SCHEMBL20777129; LAJBERCKZVTKEM-QIFMMXESSA-N; BDBM563529 ...

MW:: 553.000
MF:: C₂₆H₂₈ClF₃N₄O₄

IUPAC name:: (2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(3,6-dihydr...

Create Date:: 2019-03-23

CID:: 137531872

Summary Same Parent, Connectivity

Select item 1375318767.

an image of a chemical structure CID 137531876

SCHEMBL20777133; IBHIGKVXOGCPAS-XSGAYFKKSA-N; BDBM563531 ...

MW:: 554.600
MF:: C₂₉H₂₉F₃N₄O₄

IUPAC name:: 8-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[4-(3-methoxyphenyl)phe...

Create Date:: 2019-03-23

CID:: 137531876

Summary Same Parent, Connectivity

Select item 1375318868.

an image of a chemical structure CID 137531886

SCHEMBL20777145; YGTXHLVARBZIHQ-WRVMZKTCSA-N; BDBM563512 ...

MW:: 563.000
MF:: C₂₆H₂₆ClF₃N₆O₃

IUPAC name:: 8-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)pheny...

Create Date:: 2019-03-23

CID:: 137531886

Summary Same Parent, Connectivity

Select item 1375319049.

an image of a chemical structure CID 137531904

SCHEMBL20777163; XLGRGWHHVBWRRX-BKMJKUGQSA-N; BDBM563490 ...

MW:: 616.100
MF:: C₂₉H₂₅ClF₃N₅O₃S

IUPAC name:: ethyl (2S)-2-amino-3-[4-[4-[(1R)-1-[4-chloro-2-(3-methylpyra...

Create Date:: 2019-03-23

CID:: 137531904

Summary Same Parent, Connectivity

Select item 14275088310.

an image of a chemical structure CID 142750883

DPZSVAPRJNCZEM-QIFMMXESSA-N; BDBM563511; US11407763, Example 75 ...

MW:: 587.000
MF:: C₂₇H₂₈ClF₅N₄O₃

IUPAC name:: (2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(4,4-difluo...

Create Date:: 2019-12-07

CID:: 142750883

Summary Same Parent, Connectivity

Select item 13753196611.

an image of a chemical structure CID 137531966

SCHEMBL20777231; LIUGZGVJFLUDLM-XVWZFPJNSA-N; BDBM563497 ...

MW:: 542.500
MF:: C₂₈H₂₉F₃N₄O₄

IUPAC name:: (2S)-2-amino-3-[4-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[4-(3-m...

Create Date:: 2019-03-23

CID:: 137531966

Summary Same Parent, Connectivity

Select item 14253422512.

an image of a chemical structure CID 142534225

UVYFDSYWXIQSBZ-JYFHCDHNSA-N; BDBM563492; US11407763, Example 24 ...

MW:: 602.000
MF:: C₂₉H₂₀ClF₄N₃O₃S

IUPAC name:: (2S)-2-amino-3-[4-[4-[(1R)-1-[4-chloro-2-(3-fluorophenyl)phe...

Create Date:: 2019-12-06

CID:: 142534225

Summary Same Parent, Connectivity

Select item 14253424113.

an image of a chemical structure CID 142534241

BDBM563489; US11407763, Example 12; (S)-2-amino-3-(4-(2- amino-7-((3'-methoxy- [1,1'-biphenyl]-4- yl)methyl)-7H- pyrrolo[2,3- d]pyrimidine-4- yl)phenyl)propionic acid hydrochloride

MW:: 493.600
MF:: C₂₉H₂₇N₅O₃

IUPAC name:: (2S)-2-amino-3-[4-[2-amino-7-[[4-(3-methoxyphenyl)phenyl]met...

Create Date:: 2019-12-06

CID:: 142534241

Summary Same Parent, Connectivity

Select item 14253430314.

an image of a chemical structure CID 142534303

BIXIMYYKYTWADM-WMZHIEFXSA-N; BDBM563536; US11407763, Example 91 ...

MW:: 603.000
MF:: C₂₇H₂₂ClF₃N₆O₃S

IUPAC name:: (2S)-2-amino-3-[4-[2-amino-4-[(1R)-1-[4-chloro-2-(3-methylpy...

Create Date:: 2019-12-06

CID:: 142534303

Summary Same Parent, Connectivity

Select item 14253430515.

an image of a chemical structure CID 142534305

BDBM563491; US11407763, Example 23; (S)-2-amino-3-(4-(7- ((3'-methoxy-[1,1'- biphenyl]-4-yl)methyl)- 7H-pyrrolo[2,3- d]pyrimidine-4- yl)phenyl)propionic acid hydrochloride

MW:: 478.500
MF:: C₂₉H₂₆N₄O₃

IUPAC name:: (2S)-2-amino-3-[4-[7-[[4-(3-methoxyphenyl)phenyl]methyl]pyrr...

Create Date:: 2019-12-06

CID:: 142534305

Summary Same Parent, Connectivity

Select item 14253431216.

an image of a chemical structure CID 142534312

GVFCPSSMSWAMFK-RDNFPUQESA-N; BDBM563502; US11407763, Example 48 ...

MW:: 547.000
MF:: C₂₇H₂₆ClF₃N₄O₃

IUPAC name:: (2S)-2-amino-3-[4-[2-amino-6-[1-(4-chloro-2-phenylphenyl)-2,...

Create Date:: 2019-12-06

CID:: 142534312

Summary Same Parent, Connectivity

Select item 14253431417.

an image of a chemical structure CID 142534314

SCHEMBL22150819; IOQGMJCTNJSWLN-GBXCKJPGSA-N; US11407763, Example 8 ...

MW:: 588.000
MF:: C₂₇H₂₁ClF₃N₅O₃S

IUPAC name:: (2S)-2-amino-3-[4-[4-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-...

Create Date:: 2019-12-06

CID:: 142534314

Summary Same Parent, Connectivity

Select item 14253436218.

an image of a chemical structure CID 142534362

PBRVBPNIZSIIGA-ZZHFZYNASA-N; BDBM563493; US11407763, Example 26 ...

MW:: 584.000
MF:: C₂₉H₂₁ClF₃N₃O₃S

IUPAC name:: (2S)-2-amino-3-[4-[4-[1-(4-chloro-2-phenylphenyl)-2,2,2-trif...

Create Date:: 2019-12-06

CID:: 142534362

Summary Same Parent, Connectivity

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Chemical Properties

Rule of 5 (2)
Compounds satisfied Lipinski's Rule of Five in evaluating druglikeness. Query: (-5:5[LOGP]) AND (0:500[MOLWT]) AND (0:5[HBDC]) AND (0:10[HBAC]).

BioActivity Experiments

BioAssays, Active (18)
Compounds identified as active in screening experiments

BioAssays, Tested (18)
Compounds identified as tested in screening experiments

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Compounds, activity concentration at/below 1 uM for PubChem BioAs... (18)
Compounds, activity concentration at/below 1 uM for PubChem BioAssay (Select 1806722)
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PubChem Compound
Profile neighbors for GEO Profiles (Select 77975120) (199)
GEO Profiles
TGFβ1 effect on HMEC-TR mammary epithelial cell line deficient in Smad4 or TIF1γ...
TGFβ1 effect on HMEC-TR mammary epithelial cell line deficient in Smad4 or TIF1γ
Accession: GDS4071

GEO DataSets
Related DataSets for GEO Profiles (Select 77984343) (1)
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