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Compound Detail

CHEMBL1957619

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Cc1nn(-c2ccc(C#N)c(Cl)c2)c(C)c1Cc1ccccc1C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1957619
Phase Preclinical
Structure Type MOL
InChI Key OSJROZNFBVPGFC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

364.8
MW (Da)
3.70
ALogP
4
HBA
1
HBD
84.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17ClN4O
MW 364.84
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.05

Activity Summary

IC50 2 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 IC50 5.82 5.6 1500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 1500.0 nM 5.82 Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor T877A muta... 22391033
Androgen receptor IC50 = 4200.0 nM 5.38 Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed ... 22391033

Literature References

PubMed DOI Target Context # Activities
22391033 10.1016/j.bmc.2012.02.005 Androgen receptor 6
22391033 10.1016/j.bmc.2012.02.005 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine