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Compound Detail

CHEMBL314118

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O=C(NCc1ccccc1)c1nn(-c2ccc(F)cc2)c2c1CCCC2Cc1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL314118
Phase Preclinical
Structure Type MOL
InChI Key BGAVICLIYBAOSY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

489.6
MW (Da)
6.76
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H28FN3O
MW 489.59
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10016-6 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine