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Compound Detail

CHEMBL5752528

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N#CN=C(NCc1ccc(S(=O)(=O)c2ccc(-n3cccn3)cc2)cc1)Nc1ccncc1

Basic Information

ChEMBL ID CHEMBL5752528
Phase Preclinical
Structure Type MOL
InChI Key YJRKNQQJZNIAPP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

457.5
MW (Da)
3.14
ALogP
7
HBA
2
HBD
125.1
PSA (Ų)
0.26
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19N7O2S
MW 457.52
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -2.09

Activity Summary

IC50 1 meas. best 8.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
IC50 8.48 8.48 3.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine