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Compound Detail

CHEMBL5889652

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Cc1ccncc1S(=O)(=O)c1ccc(CNC(=NC#N)Nc2ccncc2)cc1

Basic Information

ChEMBL ID CHEMBL5889652
Phase Preclinical
Structure Type MOL
InChI Key HXYQWLATCQOFOY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
2.66
ALogP
6
HBA
2
HBD
120.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N6O2S
MW 406.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.65

Activity Summary

IC50 1 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
IC50 8.64 8.64 2.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine