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Compound Detail

CHEMBL3640865

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CCc1c(N[C@@H](C2=NOC(c3ccc(C#N)cc3)O2)[C@H](C)O)ccc(C#N)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3640865
Phase Preclinical
Structure Type MOL
InChI Key WKKOOWMSGNTRPO-DQGCZVNZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.9
MW (Da)
3.87
ALogP
7
HBA
2
HBD
110.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19ClN4O3
MW 410.86
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.72

Activity Summary

IC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3072
 IC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 1.0 nM 9.0 Biological Assay: In order to demonstrate the utility of the compounds of this i... -

Data from ChEMBL 36 via Core Engine