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Compound Detail

CHEMBL111990

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CCCn1c(=O)n2nnnc2c2[nH]cnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111990
Phase Preclinical
Structure Type MOL
InChI Key JMRDRIITSWYAPV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

219.2
MW (Da)
-0.43
ALogP
7
HBA
1
HBD
93.8
PSA (Ų)
0.63
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 C8H9N7O
MW 219.21
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -1.88

Literature References

PubMed DOI Target Context # Activities
9379444 10.1021/jm970089s Cavia porcellus 2
9379444 10.1021/jm970089s Phosphodiesterase 1 1
9379444 10.1021/jm970089s Phosphodiesterase 3 1
9379444 10.1021/jm970089s Phosphodiesterase 4 1

Data from ChEMBL 36 via Core Engine