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Compound Detail

CHEMBL1403206

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O=C(CF)NC(Nc1cccc2cccnc12)C(Cl)(Cl)Cl

Basic Information

ChEMBL ID CHEMBL1403206
Phase Preclinical
Structure Type MOL
InChI Key FLSAYDXYMINGNG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.6
MW (Da)
3.43
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11Cl3FN3O
MW 350.61
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.30

Activity Summary

IC50 1 meas. best 5.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Matrix metalloproteinase-14
CHEMBL3869
IC50 5.69 5.69 2030.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Matrix metalloproteinase-14 IC50 = 2030.0 nM 5.69 PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... -

Data from ChEMBL 36 via Core Engine