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

CHEMBL1081318

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/N=C(/NCCCc1ccccc1)NCCc1c[nH]cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1081318
Phase Preclinical
Structure Type MOL
InChI Key CGWIQIDEPCKACR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
1.60
ALogP
3
HBA
3
HBD
88.9
PSA (Ų)
0.31
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 C16H20N6
MW 296.38
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
19791743 10.1021/jm900526h Histamine H2 receptor 1
19791743 10.1021/jm900526h Histamine H1 receptor 1
19791743 10.1021/jm900526h Histamine H3 receptor 1
19791743 10.1021/jm900526h Histamine H4 receptor 1

Data from ChEMBL 36 via Core Engine