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Compound Detail

CHEMBL87692

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O=C(N/N=C/C1NN(c2ccc(F)cc2)C2C(Cc3cccc4ccccc34)CCCC12)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL87692
Phase Preclinical
Structure Type MOL
InChI Key IWRDBMLARBRACV-KEIPNQJHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

506.6
MW (Da)
6.12
ALogP
4
HBA
2
HBD
56.7
PSA (Ų)
0.24
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H31FN4O
MW 506.63
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10016-6 Progesterone receptor 1
- 10.1016/S0960-894X(97)10016-6 T47D 1

Data from ChEMBL 36 via Core Engine