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

CHEMBL88419

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
O=C(O)/C=C\C(=O)O.c1nc(COCC2CCCCC2)c[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL88419
Phase Preclinical
Structure Type MOL
InChI Key AGWNYLHKXCLPEY-BTJKTKAUSA-N
Parent Compound CHEMBL1179598
Active Moiety CHEMBL1179598
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

194.3
MW (Da)
2.51
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H22N2O5
MW 310.35
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.67

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
15115409 10.1021/jm031065q Histamine H3 receptor 2
15115409 10.1021/jm031065q Mus musculus 1
15115409 10.1021/jm031065q Histamine H2 receptor 1
15115409 10.1021/jm031065q Histamine H1 receptor 1

Data from ChEMBL 36 via Core Engine