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Compound Detail

CHEMBL1182630

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

Basic Information

ChEMBL ID CHEMBL1182630
Phase Preclinical
Structure Type MOL
InChI Key JHAOVOZLDIGFEL-CSPPYYTDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.9
MW (Da)
4.02
ALogP
6
HBA
1
HBD
99.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21ClFN3O3S
MW 413.90
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.39

Data from ChEMBL 36 via Core Engine