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Compound Detail

CHEMBL1390171

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CN1CCN(C(=O)c2cc(COc3ccccc3)on2)[C@@H](c2ccccc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1390171
Phase Preclinical
Structure Type MOL
InChI Key XBMHECAPNWZCQH-OAQYLSRUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
3.38
ALogP
5
HBA
0
HBD
58.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N3O3
MW 377.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.56

Data from ChEMBL 36 via Core Engine