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Compound Detail

CHEMBL1190510

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COc1cc([C@@H]2c3cc4c(cc3[C@@H](CCN3CCC[C@@H]3CO)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190510
Phase Preclinical
Structure Type MOL
InChI Key RGFCPEHITGVQEU-XVJTXTKYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

511.6
MW (Da)
3.00
ALogP
9
HBA
2
HBD
106.9
PSA (Ų)
0.54
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H33NO8
MW 511.57
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness 0.94

Data from ChEMBL 36 via Core Engine