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Compound Detail

CHEMBL543658

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CC(C)Cn1c(=O)c2ncn(C)c2c2ccccc21.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL543658
Phase Preclinical
Structure Type MOL
InChI Key VLWGSPWCKXKXJF-UHFFFAOYSA-N
Parent Compound CHEMBL1192426
Active Moiety CHEMBL1192426
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
2.54
ALogP
4
HBA
0
HBD
39.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18ClN3O
MW 291.78
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.85

Literature References

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

Data from ChEMBL 36 via Core Engine