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Compound Detail

CHEMBL1570371

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Cc1ccc2nc(NC(=O)c3ccco3)sc2c1

Basic Information

ChEMBL ID CHEMBL1570371
Phase Preclinical
Structure Type MOL
InChI Key CFMFQLDZFQUFTR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
3.45
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.77
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 C13H10N2O2S
MW 258.30
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -2.86

Activity Summary

EC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nucleic Acid
CHEMBL345
EC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nucleic Acid EC50 = 1000.0 nM 6.0 PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... -

Data from ChEMBL 36 via Core Engine