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Compound Detail

CHEMBL4203115

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N#Cc1cccc(CN(CC(=O)NO)Cc2cccc(C#N)c2)c1

Basic Information

ChEMBL ID CHEMBL4203115
Phase Preclinical
Structure Type MOL
InChI Key OVSDYVNNYABUQT-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
1.94
ALogP
5
HBA
2
HBD
100.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O2
MW 320.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.31

Activity Summary

IC50 2 meas. best 5.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Meprin A subunit alpha
CHEMBL4105775
IC50 5.83 5.83 1470.0 1
Meprin A subunit beta
CHEMBL4105879
IC50 4.92 4.92 12000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
29694039 10.1021/acs.jmedchem.8b00330 Meprin A subunit alpha 1
29694039 10.1021/acs.jmedchem.8b00330 Meprin A subunit beta 1

Data from ChEMBL 36 via Core Engine