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

CHEMBL1204309

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
CCC(CC)N1CCN(C(=O)CCC(=O)c2ccc(OC)c(OC)c2)CC1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204309
Phase Preclinical
Structure Type MOL
InChI Key FMRFTGSEFWJTNM-UHFFFAOYSA-N
Parent Compound CHEMBL95645
Active Moiety CHEMBL95645
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
3.00
ALogP
5
HBA
0
HBD
59.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H33ClN2O4
MW 412.96
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.97

Activity Summary

Ki 1 meas. best 9.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL264
 Ki 9.42 9.42 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H3 receptor Ki = 0.38 nM 9.42 Antagonist potency against human histamine H3 receptor expressed in CHO cells wa... 15139761

Literature References

PubMed DOI Target Context # Activities
15139761 10.1021/jm031028z Histamine H3 receptor 1

Data from ChEMBL 36 via Core Engine