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Compound Detail

CHEMBL1192538

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COc1cc([C@@H]2c3cc4c(cc3[C@@H](CCN(C)Cc3ccccc3)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O

Basic Information

ChEMBL ID CHEMBL1192538
Phase Preclinical
Structure Type MOL
InChI Key UWMBXVJUFVVFBV-ITVIEVEMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

531.6
MW (Da)
4.68
ALogP
8
HBA
1
HBD
86.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H33NO7
MW 531.61
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness 0.62

Data from ChEMBL 36 via Core Engine