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Compound Detail

CHEMBL4176533

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NC(=O)C1=NC2C=CC=CN2C1c1cccc(CCC(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4176533
Phase Preclinical
Structure Type MOL
InChI Key BIWNPKVGUHOHQH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
1.40
ALogP
4
HBA
2
HBD
96.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N3O3
MW 311.34
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.15

Literature References

PubMed DOI Target Context # Activities
30034585 10.1021/acsmedchemlett.7b00505 Group 10 secretory phospholipase A2 1

Data from ChEMBL 36 via Core Engine