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Compound Detail

CHEMBL5813003

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COC(=O)Nc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5813003
Phase Preclinical
Structure Type MOL
InChI Key UCAQCTCNHUWKAZ-INIZCTEOSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.3
MW (Da)
2.34
ALogP
7
HBA
3
HBD
129.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16F3N5O4
MW 411.34
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.71

Activity Summary

IC50 2 meas. best 6.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 IC50 6.08 6.08 827.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 827.0 nM 6.08 Human Androgen Receptor (hAR) Ligand Binding Domain (LBD) Affinity Assay: Method... -
Androgen receptor IC50 = 827.0 nM 6.08 Human Androgen Receptor (hAR) Ligand Binding Domain (LBD) Affinity Assay: Method... -

Data from ChEMBL 36 via Core Engine