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Compound Detail

CHEMBL4458433

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C=C(c1ccccc1)[C@@]12CC[C@H](N)[C@@H]1CC(CCCCCC)=C2c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4458433
Phase Preclinical
Structure Type MOL
InChI Key KBZKIMOXGGMQPU-NSVAZKTRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.6
MW (Da)
7.25
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H35N
MW 385.60
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.77

Literature References

PubMed DOI Target Context # Activities
31419141 10.1021/acs.jmedchem.9b00753 Nuclear receptor subfamily 5 group A member 2 1

Data from ChEMBL 36 via Core Engine