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Compound Detail

CHEMBL5889387

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C[C@](O)(Cn1cc(N)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1

Basic Information

ChEMBL ID CHEMBL5889387
Phase Preclinical
Structure Type MOL
InChI Key OCGGLFCYSSOLDC-AWEZNQCLSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

353.3
MW (Da)
1.75
ALogP
6
HBA
3
HBD
117.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14F3N5O2
MW 353.30
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.62

Activity Summary

Ki 3 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
Ki 6.64 6.64 227.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine