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Compound Detail

CHEMBL3415118

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C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3nccn3)=CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3415118
Phase Preclinical
Structure Type MOL
InChI Key DQFSOCQBGGWYNF-ZKHIMWLXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.5
MW (Da)
4.05
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.79
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 C21H29N3O
MW 339.48
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.61

Literature References

PubMed DOI Target Context # Activities
25591066 10.1021/jm501239f Steroid 17-alpha-hydroxylase/17,20 lyase 3

Data from ChEMBL 36 via Core Engine