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Compound Detail

CHEMBL1402586

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Cc1ccc(C)c(NS(=O)(=O)c2ccc3nc(O)oc3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1402586
Phase Preclinical
Structure Type MOL
InChI Key BNCGKTRZEQLJTC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
2.95
ALogP
5
HBA
2
HBD
92.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N2O4S
MW 318.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.09

Activity Summary

IC50 1 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Intestinal-type alkaline phosphatase
CHEMBL3151
 IC50 4.8 4.8 15700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Intestinal-type alkaline phosphatase IC50 = 15700.0 nM 4.8 PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... -

Data from ChEMBL 36 via Core Engine