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Compound Detail

CHEMBL4802458

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C=CCc1ccc(O)c(-c2ccc(OCCCc3c4[n+](cc5c(OC)c(OC)ccc35)CCc3cc5c(cc3-4)OCO5)c(CC=C)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802458
Phase Preclinical
Structure Type MOL
InChI Key MUBVEXDGVXMTLX-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

642.8
MW (Da)
7.94
ALogP
6
HBA
1
HBD
70.3
PSA (Ų)
0.08
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H40NO6+
MW 642.77
Aromatic Rings 5
Heavy Atoms 48
NP-Likeness 0.95

Data from ChEMBL 36 via Core Engine