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Compound Detail

CHEMBL1510646

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COc1ccc(-c2nsc3c(N4CCCCC4)ncnc23)cc1

Basic Information

ChEMBL ID CHEMBL1510646
Phase Preclinical
Structure Type MOL
InChI Key SIYLIPGDRPIPGJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
3.75
ALogP
6
HBA
0
HBD
51.1
PSA (Ų)
0.73
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 C17H18N4OS
MW 326.43
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.50

Activity Summary

EC50 1 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nucleic Acid
CHEMBL345
EC50 6.57 6.57 270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nucleic Acid EC50 = 270.0 nM 6.57 PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... -

Data from ChEMBL 36 via Core Engine