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Compound Detail

CHEMBL1182614

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

Basic Information

ChEMBL ID CHEMBL1182614
Phase Preclinical
Structure Type MOL
InChI Key OUXJTNNYAUPPAM-POGJTHQKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.8
MW (Da)
5.64
ALogP
4
HBA
1
HBD
64.9
PSA (Ų)
0.67
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 C18H18ClF4N3O
MW 403.81
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.22

Data from ChEMBL 36 via Core Engine