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Compound Detail

CHEMBL71896

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CC1(C)OC(=O)Nc2ccc(-c3c[nH]c(C#N)c3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL71896
Phase Preclinical
Structure Type MOL
InChI Key QCOYBLLEVMJWCT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

267.3
MW (Da)
3.35
ALogP
3
HBA
2
HBD
77.9
PSA (Ų)
0.83
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 C15H13N3O2
MW 267.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.29

Literature References

PubMed DOI Target Context # Activities
15081005 10.1016/j.bmcl.2004.02.054 Progesterone receptor 2

Data from ChEMBL 36 via Core Engine