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Compound Detail

CHEMBL1486697

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COc1ccc(OC)c(NC(=O)CCNS(=O)(=O)c2ccc3nc(O)oc3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1486697
Phase Preclinical
Structure Type MOL
InChI Key DKFSUDVKAGZTIX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

421.4
MW (Da)
1.86
ALogP
8
HBA
3
HBD
140.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N3O7S
MW 421.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.77

Activity Summary

IC50 1 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 2490.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Intestinal-type alkaline phosphatase IC50 = 2490.0 nM 5.6 PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... -

Data from ChEMBL 36 via Core Engine