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Compound Detail

CHEMBL5835137

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Cn1c(S(=O)(=O)c2ccc(CNC(=NC#N)Nc3ccncc3)cc2)cc2ccccc21

Basic Information

ChEMBL ID CHEMBL5835137
Phase Preclinical
Structure Type MOL
InChI Key KOBJJSVCUUILJG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

444.5
MW (Da)
3.44
ALogP
6
HBA
2
HBD
112.2
PSA (Ų)
0.28
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N6O2S
MW 444.52
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.42

Activity Summary

IC50 1 meas. best 8.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
IC50 8.68 8.68 2.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine