Compound Detail

CHEMBL72844

AMINOPOTENTIDINE

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N#CN/C(=N\CCNC(=O)c1ccc(N)cc1)NCCCOc1cccc(CN2CCCCC2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL72844
Name	AMINOPOTENTIDINE
Phase	Preclinical
Structure Type	MOL
InChI Key	CICDSYWWNDGAGD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

477.6

MW (Da)

2.47

ALogP

HBA

HBD

127.8

PSA (Å²)

0.10

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 1 meas. best 4.83

Kd 1 meas. best 4.57

Ki 1 meas. best 8.01

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Histamine H2 receptor CHEMBL2882	Ki	8.01	8.01	9.8	1
Plasmodium falciparum CHEMBL364	IC50	4.83	4.83	14700.0	1
Histamine H1 receptor CHEMBL3943	Kd	4.57	4.57	26915.3	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Histamine H2 receptor	Ki	=	9.772	nM	8.01	Inhibition of [125I]APT binding to H2 receptors in guinea pig cerebral membranes...	1613748
Plasmodium falciparum	IC50	=	14700.0	nM	4.83	Antiplasmodial activity against Plasmodium falciparum 3D7 infected in RBCs by fi...	20547797
Histamine H1 receptor	Kd	=	26915.35	nM	4.57	Histamine H1 receptor antagonistic activity on the isolated guinea pig ileum det...	1613748

PubMed	DOI	Target Context	# Activities
1613748	10.1021/jm00090a013	Histamine H2 receptor	6
1613748	10.1021/jm00090a013	Muscarinic acetylcholine receptor M3	1
1613748	10.1021/jm00090a013	Histamine H1 receptor	1
20547797	10.1128/aac.00431-10	Plasmodium falciparum	1

Data from ChEMBL 36 via Core Engine