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Compound Detail

CHEMBL79319

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C[C@]12CCC(O)CC1=CCC1C2CC[C@]2(C)C(Cc3ccccn3)=CCC12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL79319
Phase Preclinical
Structure Type MOL
InChI Key LYEZZXKWQAOTRN-KCAONXANSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.6
MW (Da)
5.48
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.71
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H33NO
MW 363.55
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 1.45

Literature References

PubMed DOI Target Context # Activities
7608911 10.1021/jm00013a022 Steroid 17-alpha-hydroxylase/17,20 lyase 2

Data from ChEMBL 36 via Core Engine