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Compound Detail

CHEMBL3819666

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O=c1ccccn1C[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3819666
Phase Preclinical
Structure Type MOL
InChI Key PZYPYVNKHXTQCH-GUYCJALGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

336.8
MW (Da)
2.62
ALogP
4
HBA
1
HBD
43.3
PSA (Ų)
0.94
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 C17H18ClFN2O2
MW 336.79
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.94

Data from ChEMBL 36 via Core Engine