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Compound Detail

CHEMBL1354299

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O=C(NNc1c2ccccc2nc2ccccc12)c1ccc(Cl)cc1

Basic Information

ChEMBL ID CHEMBL1354299
Phase Preclinical
Structure Type MOL
InChI Key DEKTZASXOSRDDT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

347.8
MW (Da)
4.80
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.41
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 C20H14ClN3O
MW 347.81
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.17

Activity Summary

IC50 1 meas. best 4.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Matrix metalloproteinase-14
CHEMBL3869
IC50 4.33 4.33 46500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Matrix metalloproteinase-14 IC50 = 46500.0 nM 4.33 PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... -

Data from ChEMBL 36 via Core Engine