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Compound Detail

CHEMBL1370260

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NS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(N)(=O)=O)ccc12

Basic Information

ChEMBL ID CHEMBL1370260
Phase Preclinical
Structure Type MOL
InChI Key OLVHZDHRZMECBV-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
0.24
ALogP
6
HBA
2
HBD
150.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10N2O6S2
MW 354.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.64

Activity Summary

IC50 3 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Intestinal-type alkaline phosphatase
CHEMBL3151
IC50 5.6 5.6 2510.0 1
Intestinal-type alkaline phosphatase
CHEMBL5573
IC50 5.11 5.11 7730.0 1
Alkaline phosphatase, tissue-nonspecific isozyme
CHEMBL5979
IC50 4.93 4.93 11800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine