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Compound Detail

CHEMBL469600

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COc1cccc(Oc2ccc(C#N)c(C(F)(F)F)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL469600
Phase Preclinical
Structure Type MOL
InChI Key OACAISSJVCYONS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

293.2
MW (Da)
4.38
ALogP
3
HBA
0
HBD
42.2
PSA (Ų)
0.84
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 C15H10F3NO2
MW 293.24
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
19286380 10.1016/j.bmcl.2009.02.104 Androgen receptor 2

Data from ChEMBL 36 via Core Engine