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

CHEMBL92694

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

Basic Information

ChEMBL ID CHEMBL92694
Phase Preclinical
Structure Type MOL
InChI Key MPCYZPCWSYUWMJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

97.1
MW (Da)
-0.13
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.51
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 C4H7N3
MW 97.12
Aromatic Rings 1
Heavy Atoms 7
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
7830269 10.1021/jm00002a008 Histamine H3 receptor 1
7830269 10.1021/jm00002a008 Histamine H1 receptor 1
7830269 10.1021/jm00002a008 Histamine H2 receptor 1

Data from ChEMBL 36 via Core Engine