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Compound Detail

CHEMBL1182620

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

Basic Information

ChEMBL ID CHEMBL1182620
Phase Preclinical
Structure Type MOL
InChI Key ZSKIIFIEKWHPCC-CSPPYYTDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.9
MW (Da)
3.99
ALogP
6
HBA
2
HBD
111.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22ClFN4O3S
MW 428.92
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.42

Data from ChEMBL 36 via Core Engine