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Compound Detail

CHEMBL1481632

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O=C(COC(=O)COc1ccccc1)Nc1ncc([N+](=O)[O-])s1

Basic Information

ChEMBL ID CHEMBL1481632
Phase Preclinical
Structure Type MOL
InChI Key MYGVCLCQXLGEHR-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

337.3
MW (Da)
1.61
ALogP
8
HBA
1
HBD
120.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11N3O6S
MW 337.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.19

Activity Summary

IC50 2 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Intestinal-type alkaline phosphatase
CHEMBL3151
IC50 6.17 6.17 674.0 1
Alkaline phosphatase, tissue-nonspecific isozyme
CHEMBL5979
IC50 5.33 5.33 4720.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine