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Compound Detail

CHEMBL5910535

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COc1cc(S(=O)(=O)c2ccc(CNC(=NC#N)Nc3ccncc3)cc2)ccc1C

Basic Information

ChEMBL ID CHEMBL5910535
Phase Preclinical
Structure Type MOL
InChI Key PJQUXJSQNVDIEN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
3.27
ALogP
6
HBA
2
HBD
116.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N5O3S
MW 435.51
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.49

Activity Summary

IC50 1 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
IC50 8.92 8.92 1.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine