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Compound Detail

CHEMBL5584180

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O=c1nc(NCc2ccccc2)[nH]c2c1CN(Cc1ccccc1)CC2

Basic Information

ChEMBL ID CHEMBL5584180
Phase Preclinical
Structure Type MOL
InChI Key HGMPWRAFSRXBRL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
2.94
ALogP
4
HBA
2
HBD
61.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N4O
MW 346.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.23

Activity Summary

EC50 1 meas. best 5.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ATP-dependent Clp protease proteolytic subunit, mitochondrial
CHEMBL4523305
EC50 5.87 5.87 1340.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38620134 10.1021/acs.jmedchem.4c00338 ATP-dependent Clp protease proteolytic subunit, mitochondrial 2
38620134 10.1021/acs.jmedchem.4c00338 MV4-11 1

Data from ChEMBL 36 via Core Engine