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Compound Detail

CHEMBL1530046

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O=c1/c(=C/c2cccc(Br)c2)sc2nc3cc(Br)cnc3n12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1530046
Phase Preclinical
Structure Type MOL
InChI Key YMOYMKNAXWVPPL-XGICHPGQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.1
MW (Da)
3.38
ALogP
5
HBA
0
HBD
47.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H7Br2N3OS
MW 437.12
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.86

Activity Summary

IC50 1 meas. best 4.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein phosphatase non-receptor type 7
CHEMBL2219
 IC50 4.01 4.01 98300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein phosphatase non-receptor type 7 IC50 = 98300.0 nM 4.01 PUBCHEM_BIOASSAY: MOA HePTP Fluorescent secondary assay for identification of re... -

Data from ChEMBL 36 via Core Engine