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Compound Detail

CHEMBL1183979

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COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NCCCCCOC(C)=O)C(O)C(C)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183979
Phase Preclinical
Structure Type MOL
InChI Key JZGGYLZMSOOOOA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

671.7
MW (Da)
1.37
ALogP
14
HBA
6
HBD
218.4
PSA (Ų)
0.09
QED
3
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H41NO13
MW 671.70
Aromatic Rings 2
Heavy Atoms 48
NP-Likeness 1.56

Data from ChEMBL 36 via Core Engine