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Compound Detail

CHEMBL5743697

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N#C/N=C(\NCc1ccc(S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1)Nc1ccncc1

Basic Information

ChEMBL ID CHEMBL5743697
Phase Preclinical
Structure Type MOL
InChI Key SZBKBKCCPZPJGT-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
4.62
ALogP
5
HBA
2
HBD
107.2
PSA (Ų)
0.24
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21N5O2S
MW 467.55
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.29

Activity Summary

IC50 2 meas. best 8.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
IC50 8.59 8.525 2.6 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine