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Compound Detail

CHEMBL1182151

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COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182151
Phase Preclinical
Structure Type MOL
InChI Key JVQZYMVBXVUIPJ-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
4.17
ALogP
5
HBA
1
HBD
49.0
PSA (Ų)
0.58
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 C24H25NO4
MW 391.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.17

Data from ChEMBL 36 via Core Engine