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Compound Detail

CHEMBL4203137

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C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3ccccc3)=CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4203137
Phase Preclinical
Structure Type MOL
InChI Key WLRUCVIZFKNFOO-ABVATSDPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

348.5
MW (Da)
6.00
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.62
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32O
MW 348.53
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 2.04

Literature References

PubMed DOI Target Context # Activities
29792703 10.1021/acs.jmedchem.8b00419 Steroid 21-hydroxylase 1
29792703 10.1021/acs.jmedchem.8b00419 Steroid 17-alpha-hydroxylase/17,20 lyase 1

Data from ChEMBL 36 via Core Engine