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Compound Detail

CHEMBL2079311

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CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C#N)nc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2079311
Phase Preclinical
Structure Type MOL
InChI Key NRKDWVONAGLTKA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
2.38
ALogP
6
HBA
1
HBD
87.8
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 C18H16N4O2S
MW 352.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.17

Data from ChEMBL 36 via Core Engine