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Compound Detail

CHEMBL313352

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

Basic Information

ChEMBL ID CHEMBL313352
Phase Preclinical
Structure Type MOL
InChI Key APCADXHAVLYJFG-QNKGDIEWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

542.7
MW (Da)
5.66
ALogP
5
HBA
2
HBD
73.8
PSA (Ų)
0.23
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H31FN4O2S
MW 542.68
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.70

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