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Compound Detail

CHEMBL1182622

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CC(c1nc(-c2ccc(Br)cc2Cl)no1)[C@H](N)C(F)=C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182622
Phase Preclinical
Structure Type MOL
InChI Key WOJHAWDLHGHGPN-POGJTHQKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.7
MW (Da)
5.38
ALogP
4
HBA
1
HBD
64.9
PSA (Ų)
0.73
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18BrClFN3O
MW 414.71
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.14

Data from ChEMBL 36 via Core Engine