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Compound Detail

CHEMBL510091

CLEOMISCOSIN A
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COc1cc([C@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@@H]2CO)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL510091
Name CLEOMISCOSIN A
Phase Preclinical
Structure Type MOL
InChI Key OCBGWPJNUZMLCA-NVXWUHKLSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
2.39
ALogP
8
HBA
2
HBD
107.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H18O8
MW 386.36
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 1.92

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11575966 10.1021/np0100946 Liver microsomes 1
6736970 10.1021/np50032a011 KB 1
6736970 10.1021/np50032a011 P388 1
6481366 10.1021/np50033a030 P388 1
6481366 10.1021/np50033a030 KB 1
6619884 10.1021/np50027a011 KB 1
6619884 10.1021/np50027a011 P388 1
19464173 10.1016/j.bmcl.2009.05.006 Radical scavenging activity 1
27919656 10.1016/j.bmcl.2016.11.069 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine