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Compound Detail

CHEMBL4464683

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C=C(c1ccccc1)[C@@]12CC[C@@H](O)[C@@H]1CC(CCCCCC)=C2c1cc(O)ccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4464683
Phase Preclinical
Structure Type MOL
InChI Key KVKDPRKSBDHETN-YIOBJHAYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.6
MW (Da)
7.13
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.45
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 C28H33FO2
MW 420.57
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.86

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