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Compound Detail

CHEMBL5829544

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CCS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(CNC(=NC#N)Nc3ccncc3)cc2)c1

Basic Information

ChEMBL ID CHEMBL5829544
Phase Preclinical
Structure Type MOL
InChI Key DALBOCYBHDFYAG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

483.6
MW (Da)
2.75
ALogP
7
HBA
2
HBD
141.4
PSA (Ų)
0.30
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N5O4S2
MW 483.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.79

Activity Summary

IC50 1 meas. best 8.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
IC50 8.74 8.74 1.8 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine