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Compound Detail

CHEMBL543656

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CCCCn1c(=O)c2nc(-c3ccc(OC)cc3)n(C)c2c2ccccc21.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL543656
Phase Preclinical
Structure Type MOL
InChI Key GZUFYTUGWVZISY-UHFFFAOYSA-N
Parent Compound CHEMBL1192424
Active Moiety CHEMBL1192424
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
4.36
ALogP
5
HBA
0
HBD
49.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24ClN3O2
MW 397.91
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
1331454 10.1021/jm00100a009 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine