Compound Detail

CHEMBL214332

INTERMEDINE

🧪 Phase II

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🧪 Phase II

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL214332
Name	INTERMEDINE
Phase	Phase II
Structure Type	BOTH
InChI Key	WHNFPRLDDSXQCL-UAZQEYIDSA-N

Known Names

.alpha.-melanotropin .alpha.-melanotropin (human) .alpha.-melanotropin (ox) .alpha.-melanotropin (sheep) .alpha.-msh Alpha-melanocyte stimulating hormone Alpha-msh Intermedin Intermedina Intermedine Melanophore-stimulating hormone Melanotropin +3 more

Targets

163

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

1664.9

MW (Da)

Drug Information

Molecule Type	Protein
Chirality	Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula	C77H109N21O19S
MW	1664.91

Indications

Acute Kidney Injury

Activity Summary

EC50 131 meas. best 10.62

IC50 17 meas. best 9.4

Ki 15 meas. best 8.82

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Melanocortin receptor (M1 and M4) CHEMBL2111423	EC50	10.62	10.62	0.0	1
Melanocyte-stimulating hormone receptor CHEMBL4077	EC50	10.4	9.2012	0.0	17
Melanocyte-stimulating hormone receptor CHEMBL3795	EC50	10.04	9.5431	0.1	13
Unchecked CHEMBL612545	EC50	10.0	9.325	0.1	4
Melanocortin receptor 4 CHEMBL259	EC50	9.68	8.2292	0.2	26
Melanocortin receptor 5 CHEMBL4489	EC50	9.66	9.0265	0.2	17
Melanocortin receptor 3 CHEMBL4774	EC50	9.66	8.9063	0.2	16
Melanocyte-stimulating hormone receptor CHEMBL3795	IC50	9.4	8.81	0.4	2
Melanocortin receptor 3 CHEMBL4644	EC50	9.18	8.677	0.7	10
Anolis carolinensis CHEMBL612688	EC50	9.0	9.0	1.0	1
Melanocyte-stimulating hormone receptor CHEMBL3795	Ki	8.82	8.82	1.5	1
Melanocortin receptor 4 CHEMBL3719	EC50	8.8	8.2471	1.6	17
Melanocortin receptor 4 CHEMBL259	IC50	8.3	7.8617	5.0	6
Melanocortin receptor 5 CHEMBL4608	EC50	8.09	7.615	8.1	8
Melanocortin receptor 4 CHEMBL259	Ki	8.07	7.3367	8.6	12
Unchecked CHEMBL612545	IC50	7.99	7.99	10.2	1
Melanocortin receptor 5 CHEMBL4608	IC50	7.75	7.17	18.0	4
Melanocortin receptor 3 CHEMBL4644	IC50	7.72	7.515	19.0	4
Melanocortin receptor 3 CHEMBL4644	Ki	7.34	7.34	46.0	1
Melanocortin receptor 5 CHEMBL4608	Ki	6.82	6.82	150.0	1
Probable G-protein coupled receptor 139 CHEMBL3632455	EC50	5.66	5.66	2210.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
T1/2	4.0	hr	-
T1/2	0.35	hr	Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Melanocortin receptor (M1 and M4)	EC50	=	0.024	nM	10.62	Selectivity for human MC4R over MC1R	16678415
Melanocyte-stimulating hormone receptor	EC50	=	0.04	nM	10.4	Agonist activity at mouse melanocortin receptor 1 expressed in HEK293 cells asse...	32184956
Melanocyte-stimulating hormone receptor	EC50	=	0.091	nM	10.04	Effective concentration required for the biological activity against human Melan...	13678399
Melanocyte-stimulating hormone receptor	EC50	=	0.091	nM	10.04	Evaluated for agonist activity against human Melanocortin 1 receptor using hMC1-...	7658432
Melanocyte-stimulating hormone receptor	EC50	=	0.091	nM	10.04	Evaluated for agonist activity at cloned mammalian human MSH1 receptor	7658432
Melanocyte-stimulating hormone receptor	EC50	=	0.1	nM	10.0	Effective concentration required for maximum agonist response at melanocortin 1 ...	14998337
Melanocyte-stimulating hormone receptor	EC50	=	0.1	nM	10.0	Decrease in frog skin reflectivity (metabotropic activity).	9276019
Unchecked	EC50	=	0.1	nM	10.0	Activity expressed as EC50 was measured in frog.	7752197
Melanocyte-stimulating hormone receptor	EC50	=	0.1	nM	10.0	Effective concentration for the effect of Melanocortin 1 receptor in the frog sk...	7473600
Melanocyte-stimulating hormone receptor	EC50	=	0.1	nM	10.0	Evaluated for agonist at cloned mammalian Melanocortin 1 receptor in frog (Rana ...	7658432
Melanocyte-stimulating hormone receptor	EC50	=	0.14	nM	9.85	Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells by A...	26433448
Melanocyte-stimulating hormone receptor	EC50	=	0.15	nM	9.82	Agonist activity at mouse MC1R expressed in HEK293 cells assessed as cAMP accumu...	26959173
Melanocortin receptor 4	EC50	=	0.21	nM	9.68	Evaluated for agonist activity at cloned mammalian Melanocortin 4 receptor	7658432
Melanocortin receptor 4	EC50	=	0.21	nM	9.68	Effective concentration required for the biological activity against human Melan...	13678399
Melanocortin receptor 5	EC50	=	0.22	nM	9.66	Agonist activity at mouse MC5 receptor expressed in HEK-293 cells assessed as cA...	26005535
Melanocortin receptor 3	EC50	=	0.22	nM	9.66	Agonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells asse...	32184956
Melanocortin receptor 5	EC50	=	0.22	nM	9.66	Agonist activity at mouse melanocortin receptor 5 expressed in HEK293 cells asse...	32184956
Melanocyte-stimulating hormone receptor	EC50	=	0.23	nM	9.64	Functional activity at the mouse melanocortin 1 receptor	11405661
Melanocyte-stimulating hormone receptor	EC50	=	0.28	nM	9.55	Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase a...	15615519
Melanocyte-stimulating hormone receptor	EC50	=	0.3	nM	9.52	Agonist activity at mouse MC1 receptor expressed in HEK-293 cells assessed as cA...	26005535

Literature References

PubMed	DOI	Target Context	# Activities
16451057	10.1021/jm050780s	Melanocortin receptor 4	30
7658432	10.1021/jm00018a005	Melanocyte-stimulating hormone receptor	4
28972753	10.1021/acs.jmedchem.7b00353	Melanocortin receptor 4	4
7752197	10.1021/jm00010a018	Unchecked	4
8558511	10.1021/jm950407s	Unchecked	3
12904077	10.1021/jm030111j	Melanocortin receptor 3	3
12904077	10.1021/jm030111j	Melanocortin receptor 4	3
15808454	10.1016/j.bmcl.2005.02.068	Melanocortin receptor 4	3
15982875	10.1016/j.bmcl.2005.05.109	Melanocortin receptor 4	3
8558511	10.1021/jm950407s	ADMET	3
12904077	10.1021/jm030111j	Melanocortin receptor 5	3
15582434	10.1016/j.bmcl.2004.10.020	Melanocortin receptor 4	3
15771429	10.1021/jm049579s	Melanocyte-stimulating hormone receptor	3
15982875	10.1016/j.bmcl.2005.05.109	Melanocortin receptor 5	3
15771429	10.1021/jm049579s	Melanocortin receptor 5	3
15771429	10.1021/jm049579s	Melanocortin receptor 4	3
15982875	10.1016/j.bmcl.2005.05.109	Melanocortin receptor 3	3
20329799	10.1021/jm9017866	Melanocortin receptor 4	3
15771429	10.1021/jm049579s	Melanocortin receptor 3	3
9276019	10.1021/jm970018t	Unchecked	2

Data from ChEMBL 36 via Core Engine