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Compound Detail

CHEMBL3594489

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CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(C)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3594489
Phase Preclinical
Structure Type MOL
InChI Key PEUQLVIYGBBAPH-ZFWWWQNUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

296.8
MW (Da)
2.06
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.90
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 C15H21ClN2O2
MW 296.80
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.40

Data from ChEMBL 36 via Core Engine