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Compound Detail

CHEMBL545067

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CCCCn1c(=O)c2nc(-c3ccccc3)n(C)c2c2ccccc21.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL545067
Phase Preclinical
Structure Type MOL
InChI Key XIMOHKJMGIRLDF-UHFFFAOYSA-N
Parent Compound CHEMBL1193627
Active Moiety CHEMBL1193627
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
4.36
ALogP
4
HBA
0
HBD
39.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22ClN3O
MW 367.88
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.90

Literature References

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

Data from ChEMBL 36 via Core Engine