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Compound Detail

CHEMBL4587527

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

Basic Information

ChEMBL ID CHEMBL4587527
Phase Preclinical
Structure Type MOL
InChI Key WVEQNIAZNVVQQB-HFASVGIHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

508.7
MW (Da)
6.22
ALogP
4
HBA
2
HBD
98.5
PSA (Ų)
0.35
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H36N2O4S
MW 508.68
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 0.55

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