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Compound Detail

CHEMBL334582

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COCCn1c(=O)c2ncn(C)c2c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL334582
Phase Preclinical
Structure Type MOL
InChI Key RNALUGIWZHGINR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

257.3
MW (Da)
1.53
ALogP
5
HBA
0
HBD
49.0
PSA (Ų)
0.71
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 C14H15N3O2
MW 257.29
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.13

Literature References

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

Data from ChEMBL 36 via Core Engine