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Compound Detail

CHEMBL5968697

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Cn1ncc2ccc(S(=O)(=O)c3ccc(CN/C(=N\C#N)Nc4ccncc4)cc3)cc21

Basic Information

ChEMBL ID CHEMBL5968697
Phase Preclinical
Structure Type MOL
InChI Key NFWLNNJGWJCVTA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
2.84
ALogP
7
HBA
2
HBD
125.1
PSA (Ų)
0.27
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N7O2S
MW 445.51
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.77

Activity Summary

IC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
IC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine