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Compound Detail

CHEMBL508381

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COc1cc(/C=C/C(=O)O[C@@H]2C3C[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC([C@@H]2O)[N+]3(C)[O-])cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL508381
Phase Preclinical
Structure Type MOL
InChI Key IIQSEOKVYKKMBG-KOOYXILRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

603.6
MW (Da)
2.74
ALogP
12
HBA
1
HBD
151.3
PSA (Ų)
0.17
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H37NO12
MW 603.62
Aromatic Rings 2
Heavy Atoms 43
NP-Likeness 1.06

Literature References

PubMed DOI Target Context # Activities
11754602 10.1021/np010295+ NON-PROTEIN TARGET 5
11754602 10.1021/np010295+ Lu1 1
11754602 10.1021/np010295+ Col2 1
11754602 10.1021/np010295+ KB 1
11754602 10.1021/np010295+ LNCaP 1
11754602 10.1021/np010295+ SW626 1
11754602 10.1021/np010295+ SK-OV-3 1

Data from ChEMBL 36 via Core Engine