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Compound Detail

CHEMBL1180016

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

Basic Information

ChEMBL ID CHEMBL1180016
Phase Preclinical
Structure Type MOL
InChI Key RBQJFBGSQDDJKT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

729.7
MW (Da)
1.25
ALogP
16
HBA
6
HBD
244.7
PSA (Ų)
0.06
QED
3
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H43NO15
MW 729.73
Aromatic Rings 2
Heavy Atoms 52
NP-Likeness 1.51

Data from ChEMBL 36 via Core Engine