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Compound Detail

CHEMBL3086868

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Nc1nc2[nH]c(CCCCCCC(=O)O)cc2c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3086868
Phase Preclinical
Structure Type MOL
InChI Key RCPCTOLPVLXJFU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
1.41
ALogP
4
HBA
4
HBD
124.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18N4O3
MW 278.31
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.38

Literature References

PubMed DOI Target Context # Activities
24111942 10.1021/jm401139z NON-PROTEIN TARGET 5
24111942 10.1021/jm401139z KB 2
24111942 10.1021/jm401139z ADMET 2
24111942 10.1021/jm401139z R2 1

Data from ChEMBL 36 via Core Engine