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Compound Detail

CHEMBL1189665

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COc1cc([C@@H]2c3cc4c(cc3[C@@H](CCN(C)CCO)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189665
Phase Preclinical
Structure Type MOL
InChI Key ABMVCOOWCJPWRU-RFJJVSTRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

485.5
MW (Da)
2.47
ALogP
9
HBA
2
HBD
106.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31NO8
MW 485.53
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 0.92

Data from ChEMBL 36 via Core Engine