Compound Detail

CHEMBL12608

IMPROMIDINE

🧪 Phase II

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🧪 Phase II

Cc1[nH]cnc1CSCCNC(=N)NCCCc1c[nH]cn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL12608
Name	IMPROMIDINE
Phase	Phase II
Structure Type	MOL
InChI Key	MURRAGMMNAYLNA-UHFFFAOYSA-N

Known Names

Impromidina Impromidine

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

321.4

MW (Da)

1.42

ALogP

HBA

HBD

105.3

PSA (Å²)

0.27

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

USAN Year

1979

Extended Properties

Molecular Formula	C14H23N7S
MW	321.45
Aromatic Rings	2
Heavy Atoms	22
NP-Likeness	-0.82

Activity Summary

Ki 6 meas. best 7.91

EC50 2 meas. best 7.7

Kd 1 meas. best 5.47

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Histamine H4 receptor CHEMBL3759	Ki	7.91	7.755	12.3	2
Histamine H2 receptor CHEMBL2882	EC50	7.7	7.7	19.9	1
Histamine H4 receptor CHEMBL3759	EC50	7.6	7.6	25.1	1
Histamine H3 receptor CHEMBL4124	Ki	7.4	7.3	39.8	2
Histamine H3 receptor CHEMBL264	Ki	7.17	7.17	67.0	1
Histamine H2 receptor CHEMBL1941	Ki	6.3	6.3	501.2	1
Histamine H1 receptor CHEMBL3943	Kd	5.47	5.47	3388.4	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Histamine H4 receptor	Ki	=	12.3	nM	7.91	Binding affinity to the human histamine H4 receptor	12954048
Histamine H2 receptor	EC50	=	19.95	nM	7.7	Agonist activity at histamine H2 receptor in guinea pig spontaneously beating ri...	18950149
Histamine H4 receptor	EC50	=	25.12	nM	7.6	Agonist activity at human histamine H4 receptor expressed in human SK-N-MC cells...	21044842
Histamine H4 receptor	Ki	=	25.12	nM	7.6	Displacement of [3H]-histamine from human histamine H4 receptor expressed in Sf9...	21044842
Histamine H3 receptor	Ki	=	39.81	nM	7.4	Binding affinity towards Histamine H3 receptor on synaptosomes from rat cerebral...	8632428
Histamine H3 receptor	Ki	=	63.1	nM	7.2	In vitro antagonistic activity tested against Histamine H3 receptor on synaptoso...	8632428
Histamine H3 receptor	Ki	=	67.0	nM	7.17	Binding affinity to the human histamine H3 receptor	12954048
Histamine H2 receptor	Ki	=	501.19	nM	6.3	Displacement of [125I]iodoaminopotentidine from human histamine H2 receptor expr...	21044842
Histamine H1 receptor	Kd	=	3388.44	nM	5.47	Antagonist activity at histamine H1 receptor in guinea pig ileum assessed as inh...	18950149

Literature References

PubMed	DOI	Target Context	# Activities
1967317	10.1021/jm00163a001	Rattus norvegicus	10
1967317	10.1021/jm00163a001	Histamine H2 receptor	6
2569042	10.1021/jm00128a045	Cavia porcellus	4
18950149	10.1021/jm800841w	Histamine H2 receptor	3
21044842	10.1016/j.bmcl.2010.10.041	Histamine H4 receptor	3
8632428	10.1021/jm9504767	Histamine H3 receptor	2
1967317	10.1021/jm00163a001	Histamine H1 receptor	2
2931524	10.1021/jm00148a007	Histamine H2 receptor	2
8632428	10.1021/jm9504767	Histamine H2 receptor	1
8632428	10.1021/jm9504767	Histamine H1 receptor	1
1967317	10.1021/jm00163a001	Histamine H3 receptor	1
12954048	10.1021/jm0341047	Histamine H3 receptor	1
12954048	10.1021/jm0341047	Histamine H4 receptor	1
1507209	10.1021/jm00095a021	Histamine H2 receptor	1
18950149	10.1021/jm800841w	Histamine H1 receptor	1
21044842	10.1016/j.bmcl.2010.10.041	Histamine H2 receptor	1

Data from ChEMBL 36 via Core Engine