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Compound Detail

CHEMBL1584113

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CCN1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1584113
Phase Preclinical
Structure Type MOL
InChI Key HZTIWJDUKCOJHN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
-0.34
ALogP
7
HBA
0
HBD
65.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N5O2
MW 263.30
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.58

Literature References

PubMed DOI Target Context # Activities
33062188 10.1021/acsmedchemlett.0c00208 N-arachidonyl glycine receptor 4
33062188 10.1021/acsmedchemlett.0c00208 G-protein coupled receptor 55 4

Data from ChEMBL 36 via Core Engine