Compound Detail

CHEMBL9506

DEVAZEPIDE

🧪 Phase II

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🧪 Phase II

CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL9506
Name	DEVAZEPIDE
Phase	Phase II
Structure Type	MOL
InChI Key	NFHRQQKPEBFUJK-HSZRJFAPSA-N

Known Names

Devazepida Devazepide L-364,718 L-364718 MK-329

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

408.5

MW (Da)

3.74

ALogP

HBA

HBD

77.6

PSA (Å²)

0.54

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

USAN Stem	-azepide
USAN Year	1989

Extended Properties

Molecular Formula	C25H20N4O2
MW	408.46
Aromatic Rings	4
Heavy Atoms	31
NP-Likeness	-0.32

Activity Summary

IC50 41 meas. best 10.1

Ki 11 meas. best 10.63

EC50 3 meas. best 5.49

Kd 1 meas. best 6.14

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cholecystokinin receptor type A CHEMBL1901	Ki	10.63	9.685	0.0	2
Cholecystokinin receptor type A CHEMBL1901	IC50	10.1	9.8367	0.1	3
Cholecystokinin receptor type A CHEMBL2871	IC50	10.1	9.7781	0.1	16
Cholecystokinin receptor type A CHEMBL2871	Ki	9.83	9.49	0.1	2
Cholecystokinin receptor CHEMBL2096986	IC50	9.1	9.1	0.8	1
Rattus norvegicus CHEMBL376	IC50	8.6	8.6	2.5	1
Gastrin/cholecystokinin type B receptor CHEMBL298	Ki	8.43	7.504	3.7	5
Gastrin/cholecystokinin type B receptor CHEMBL2854	IC50	7.51	7.275	31.0	4
Gastrin/cholecystokinin type B receptor CHEMBL298	IC50	6.77	6.62	170.0	10
Cholecystokinin receptor CHEMBL2095185	IC50	6.57	6.57	270.0	1
Cholecystokinin receptor type A CHEMBL3501	IC50	6.57	6.57	270.0	1
Gastrin/cholecystokinin type B receptor CHEMBL3508	Ki	6.57	6.57	269.1	1
Gastrin/cholecystokinin type B receptor CHEMBL3508	IC50	6.16	6.0933	696.0	3
Gastrin/cholecystokinin type B receptor CHEMBL3508	Kd	6.14	6.14	724.4	1
Glucagon-like peptide 1 receptor CHEMBL1784	EC50	5.49	5.49	3269.7	1
Translocator protein CHEMBL5742	Ki	5.48	5.48	3332.7	1
Beta-2 adrenergic receptor CHEMBL210	EC50	5.42	5.42	3830.0	1
Free fatty acid receptor 4 CHEMBL5339	EC50	5.36	5.36	4368.2	1
Opioid receptor CHEMBL2094129	IC50	5.0	5.0	10000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cholecystokinin receptor type A	Ki	=	0.02344	nM	10.63	Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in P...	16570921
Cholecystokinin receptor type A	IC50	=	0.08	nM	10.1	Inhibition of binding of [125I]- CCK-33 to rat pancreas	2299627
Cholecystokinin receptor type A	IC50	=	0.08	nM	10.1	Inhibition of cholecystokinin A receptor	9722499
Cholecystokinin receptor type A	IC50	=	0.08	nM	10.1	Inhibition of [125I]Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin ty...	-
Cholecystokinin receptor type A	IC50	=	0.08	nM	10.1	Ability to inhibit the binding of [125I]CCK-8 to Cholecystokinin type A receptor...	-
Cholecystokinin receptor type A	IC50	=	0.08	nM	10.1	Half-maximal inhibition of [125I]CCK-33 binding to cholecystokinin A receptor fr...	2848124
Cholecystokinin receptor type A	IC50	=	0.08	nM	10.1	Concentration required for 50% inhibition of Cholecystokinin type A receptor in ...	12477342
Cholecystokinin receptor type A	IC50	=	0.07943	nM	10.1	Binding affinity against cholecystokinin type A receptor of rat pancreas	7932591
Cholecystokinin receptor type A	IC50	=	0.08	nM	10.1	Displacement of [125 I] CCK-8 from Cholecystokinin type A receptor of rat pancre...	2909725
Cholecystokinin receptor type A	IC50	=	0.08	nM	10.1	Half maximal inhibition of specific binding of [125I]-Bolton-Hunter CCK-8 to Cho...	11000005
Cholecystokinin receptor type A	IC50	=	0.08	nM	10.1	The compound was tested for its activity to inhibit the binding of [125I]CCK-8 t...	-
Cholecystokinin receptor type A	IC50	=	0.08	nM	10.1	Antagonistic activity against cholecystokinin type A receptor	8340909
Cholecystokinin receptor type A	IC50	=	0.1	nM	10.0	Inhibition of [125I]- Bolton-Hunter CCK-26-33 binding to Cholecystokinin type A ...	-
Cholecystokinin receptor type A	IC50	=	0.1	nM	10.0	Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat ...	1671419
Cholecystokinin receptor type A	IC50	=	0.1	nM	10.0	Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin ty...	7684452
Cholecystokinin receptor type A	Ki	=	0.1479	nM	9.83	Inhibition by displacing [3H]CCK-8S against Cholecystokinin type A receptor of r...	11020274
Cholecystokinin receptor type A	IC50	=	0.49	nM	9.31	Inhibition of human CCK1 receptor	18588282
Cholecystokinin receptor type A	IC50	=	0.71	nM	9.15	In vitro inhibition of [3H]propionyl-CCK-8 binding to rat pancreatic membranes a...	11020292
Cholecystokinin receptor type A	Ki	=	0.7	nM	9.15	Inhibition of [3H]L-364718 binding to cholecystokinin type A receptor in rat pan...	1552499
Cholecystokinin receptor type A	IC50	=	0.7	nM	9.15	Binding of [3H]propionyl-CCK-8 to Cholecystokinin type A receptor from rat pancr...	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL4689842	HEK-293T	345
-	10.6019/CHEMBL4689842	U2OS	345
-	10.6019/CHEMBL4689842	Fibroblast	340
-	10.6019/CHEMBL5209801	Sphingosine 1-phosphate receptor 1	8
-	10.6019/CHEMBL5209801	Alpha-2A adrenergic receptor	8
-	10.6019/CHEMBL5209801	Apelin receptor	8
-	10.6019/CHEMBL5209801	CX3C chemokine receptor 1	8
-	10.6019/CHEMBL5209801	Glucose-dependent insulinotropic receptor	8
-	10.6019/CHEMBL5209801	C5a anaphylatoxin chemotactic receptor 1	8
-	10.6019/CHEMBL5209801	Glucagon-like peptide 1 receptor	8
-	10.6019/CHEMBL5209801	Adhesion G-protein coupled receptor F1	8
-	10.6019/CHEMBL5209801	N-formyl peptide receptor 2	8
-	10.6019/CHEMBL5209801	Beta-2 adrenergic receptor	8
-	10.6019/CHEMBL5209801	Free fatty acid receptor 4	8
-	10.6019/CHEMBL5209801	Type-1 angiotensin II receptor	8
10579828	10.1021/jm991078x	Rattus norvegicus	8
11020274	10.1021/jm990967h	Gastrin/cholecystokinin type B receptor	3
20014752	10.1021/tx900326k	Hepatotoxicity	3
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
3336017	10.1021/jm00396a028	Mus musculus	2

Data from ChEMBL 36 via Core Engine