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Compound Detail

CHEMBL542476

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CCCCCn1c(=O)c2ncn(C)c2c2ccccc21.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL542476
Phase Preclinical
Structure Type MOL
InChI Key MYNIICRFTJRTKV-UHFFFAOYSA-N
Parent Compound CHEMBL1191386
Active Moiety CHEMBL1191386
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

269.4
MW (Da)
3.08
ALogP
4
HBA
0
HBD
39.8
PSA (Ų)
0.68
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 C16H20ClN3O
MW 305.81
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.81

Literature References

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

Data from ChEMBL 36 via Core Engine