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Compound Detail

CHEMBL130730

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CCCCn1c(=O)c2ncn(C)c2c2c(C)cccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL130730
Phase Preclinical
Structure Type MOL
InChI Key BQCZLTYGLKCVAF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

269.4
MW (Da)
3.00
ALogP
4
HBA
0
HBD
39.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N3O
MW 269.35
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.88

Literature References

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

Data from ChEMBL 36 via Core Engine