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Compound Detail

CHEMBL5563985

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O=c1nc(NCc2cccnc2)[nH]c2c1CN(Cc1ccccc1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5563985
Phase Preclinical
Structure Type MOL
InChI Key HFBVRLGSQINUJO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
2.34
ALogP
5
HBA
2
HBD
73.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N5O
MW 347.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.51

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