Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3410116

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
N#C/C(=C\c1ccc(C(=O)O)cc1)c1nc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3410116
Phase Preclinical
Structure Type MOL
InChI Key CJFLKEBFPOGCOG-UKTHLTGXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
3.33
ALogP
3
HBA
2
HBD
89.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11N3O2
MW 289.29
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
25847768 10.1016/j.ejmech.2015.03.050 Human immunodeficiency virus 1 1
25847768 10.1016/j.ejmech.2015.03.050 Unchecked 1
25847768 10.1016/j.ejmech.2015.03.050 H9 1

Data from ChEMBL 36 via Core Engine