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Compound Detail

CHEMBL490556

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COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)c([N+](=O)[O-])c(OC)c1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490556
Phase Preclinical
Structure Type MOL
InChI Key ZWTQIDRBERUTBW-GJEGPGMTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

397.8
MW (Da)
2.72
ALogP
8
HBA
0
HBD
114.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16ClNO8
MW 397.77
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 1.35

Literature References

PubMed DOI Target Context # Activities
19402668 10.1021/jm801517j Unchecked 1
22191585 10.1021/jm200835c Trichophyton mentagrophytes 1
22191585 10.1021/jm200835c Trichophyton rubrum 1
22191585 10.1021/jm200835c MDA-MB-231 1

Data from ChEMBL 36 via Core Engine