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Compound Detail

CHEMBL483941

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Cc1c(/N=C2\N(C(N)=O)C[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL483941
Phase Preclinical
Structure Type MOL
InChI Key HTRWURBNWYFPJF-PQXDSQRDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.8
MW (Da)
1.34
ALogP
4
HBA
2
HBD
106.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16ClN5O2
MW 333.78
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.47

Activity Summary

Ki 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 Ki 7.72 7.72 19.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor Ki = 19.0 nM 7.72 Displacement of [3H[DHT from androgen receptor endogenously expressed in human M... 19351168

Literature References

PubMed DOI Target Context # Activities
19351168 10.1021/jm801583j Androgen receptor 2

Data from ChEMBL 36 via Core Engine