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Compound Detail

CHEMBL9389

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CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1C/C=C/I
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL9389
Phase Preclinical
Structure Type MOL
InChI Key LPVAVQLDCHMXRG-ZZXKWVIFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

463.2
MW (Da)
4.07
ALogP
3
HBA
0
HBD
64.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13F3IN3O2
MW 463.20
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.04

Activity Summary

Ki 1 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3072
 Ki 7.89 7.89 13.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor Ki = 13.0 nM 7.89 Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibo... 11327585

Literature References

PubMed DOI Target Context # Activities
11327585 10.1016/s0960-894x(01)00146-9 Androgen receptor 1

Data from ChEMBL 36 via Core Engine