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

CHEMBL1767144

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
CN1CCC[C@@H]1Cn1nc(Cc2ccc(C(=O)O)cc2)c2ccccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1767144
Phase Preclinical
Structure Type MOL
InChI Key AIQKTJZHRRQKTE-QGZVFWFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
2.78
ALogP
5
HBA
1
HBD
75.4
PSA (Ų)
0.74
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 C22H23N3O3
MW 377.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
21381763 10.1021/jm1013874 Alpha-1B adrenergic receptor 1
21381763 10.1021/jm1013874 Alpha-1A adrenergic receptor 1
21381763 10.1021/jm1013874 Histamine H3 receptor 1
21381763 10.1021/jm1013874 Histamine H1 receptor 1

Data from ChEMBL 36 via Core Engine