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Compound Detail

CHEMBL3580940

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C[N@@+]12CCc3c([nH]c4ccccc34)[C@](CO)(C(=O)[O-])[C@@H](CC1)/C(=C\CO)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3580940
Phase Preclinical
Structure Type MOL
InChI Key ZZIYKUWKZXWSRM-ZQXOILIQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
0.09
ALogP
4
HBA
3
HBD
96.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H26N2O4
MW 370.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 1.38

Literature References

PubMed DOI Target Context # Activities
26024020 10.1021/acs.jnatprod.5b00051 RAW264.7 1

Data from ChEMBL 36 via Core Engine