Compound Detail

CHEMBL326624

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

C/C(=N\O)c1ccc(OCCCc2c[nH]cn2)c(C)c1.O=C(O)/C=C\C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL326624
Phase	Preclinical
Structure Type	MOL
InChI Key	LWJWESWNOAFPJV-YIAOHYOCSA-N
Parent Compound	CHEMBL1183977
Active Moiety	CHEMBL1183977

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

273.3

MW (Da)

2.93

ALogP

HBA

HBD

70.5

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Kd 3 meas. best 8.3

Ki 2 meas. best 8.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Histamine H3 receptor CHEMBL4124	Ki	8.82	8.81	1.5	2
Cavia porcellus CHEMBL369	Kd	8.3	8.3	5.0	1
Histamine H1 receptor CHEMBL3943	Kd	4.8	4.8	15848.9	1
Histamine H2 receptor CHEMBL2882	Kd	4.7	4.7	19952.6	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Histamine H3 receptor	Ki	=	1.5	nM	8.82	Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarizat...	10966752
Histamine H3 receptor	Ki	=	1.585	nM	8.8	Antagonist activity against Histamine H3 receptor in an assay with K+ -evolved d...	10966752
Cavia porcellus	Kd	=	5.012	nM	8.3	Inhibition of electrically evoked twitches of isolated guinea pig ileal segments...	10966752
Histamine H1 receptor	Kd	=	15848.93	nM	4.8	Histamine H1-receptor activity on isolated guinea pig ileum	10966752
Histamine H2 receptor	Kd	=	19952.62	nM	4.7	Histamine H2-receptor activity on isolated spontaneously beating guinea pig atri...	10966752

PubMed	DOI	Target Context	# Activities
10966752	10.1021/jm000971p	Histamine H3 receptor	2
10966752	10.1021/jm000971p	Mus musculus	1
10966752	10.1021/jm000971p	Cavia porcellus	1
10966752	10.1021/jm000971p	Histamine H2 receptor	1
10966752	10.1021/jm000971p	Histamine H1 receptor	1

Data from ChEMBL 36 via Core Engine