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Compound Detail

CHEMBL6050255

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O=C(NCc1ccc(S(=O)(=O)N2CCC3(CCCO3)C2)cc1)c1ccc2nccn2c1

Basic Information

ChEMBL ID CHEMBL6050255
Phase Preclinical
Structure Type MOL
InChI Key RPUIYKFBISCHCG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
2.21
ALogP
6
HBA
1
HBD
93.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N4O4S
MW 440.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.70

Activity Summary

IC50 1 meas. best 8.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
IC50 8.07 8.07 8.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine