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Compound Detail

CHEMBL3623211

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C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)/C(=C\c3ccccn3)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3623211
Phase Preclinical
Structure Type MOL
InChI Key RGNJSZWUMOCIKE-QOCOTZDGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.5
MW (Da)
6.00
ALogP
2
HBA
0
HBD
30.0
PSA (Ų)
0.61
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 C25H31NO
MW 361.53
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 1.14

Literature References

PubMed DOI Target Context # Activities
26301554 10.1016/j.ejmech.2015.08.010 Aromatase 1

Data from ChEMBL 36 via Core Engine