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Compound Detail

CHEMBL1178948

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COC(=O)[C@H](c1ccc(C)cc1)[C@@H]1CCCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178948
Phase Preclinical
Structure Type MOL
InChI Key WJZNCJIOIACDBR-UONOGXRCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
2.39
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21NO2
MW 247.34
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.03

Data from ChEMBL 36 via Core Engine