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Compound Detail

CHEMBL3819707

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O=c1cccnn1C[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3819707
Phase Preclinical
Structure Type MOL
InChI Key VZYAMIGSWLJHCX-LRDDRELGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

337.8
MW (Da)
2.01
ALogP
5
HBA
1
HBD
56.1
PSA (Ų)
0.93
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 C16H17ClFN3O2
MW 337.78
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.28

Data from ChEMBL 36 via Core Engine