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Compound Detail

CHEMBL2079117

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CNCc1cc(-c2ccccc2Cl)n(S(=O)(=O)c2cccnc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2079117
Phase Preclinical
Structure Type MOL
InChI Key CIIKYMISJFCKSH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.9
MW (Da)
3.16
ALogP
5
HBA
1
HBD
64.0
PSA (Ų)
0.76
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 C17H16ClN3O2S
MW 361.85
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.27

Data from ChEMBL 36 via Core Engine