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Compound Detail

CHEMBL6049177

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O=C(NCc1ccc(S(=O)(=O)[C@@H]2CCOC2)cc1)c1cnc2nccn2c1

Basic Information

ChEMBL ID CHEMBL6049177
Phase Preclinical
Structure Type MOL
InChI Key UONHDKFRGHSWMO-MRXNPFEDSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
1.22
ALogP
7
HBA
1
HBD
102.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4O4S
MW 386.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.81

Activity Summary

IC50 2 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
IC50 8.05 8.05 8.9 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine