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Compound Detail

CHEMBL1190194

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COc1ccc([C@@H](CN2CC[C@H](O)C2)N(C)C(=O)C(c2ccccc2)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190194
Phase Preclinical
Structure Type MOL
InChI Key OJUFEFYXXALCRR-AZGAKELHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

444.6
MW (Da)
4.09
ALogP
4
HBA
1
HBD
53.0
PSA (Ų)
0.57
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 C28H32N2O3
MW 444.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.56

Data from ChEMBL 36 via Core Engine