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Compound Detail

CHEMBL4167022

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Cc1[nH]nc(C(N)=O)c1NC(=O)c1ccc(OCC2CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4167022
Phase Preclinical
Structure Type MOL
InChI Key DIQBMXCDDZFPEF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
1.86
ALogP
4
HBA
3
HBD
110.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N4O3
MW 314.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
30091915 10.1021/acs.jmedchem.8b00669 Unchecked 1

Data from ChEMBL 36 via Core Engine