Compound Detail

CHEMBL34431

CILOSTAMIDE

🧪 Phase II

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🧪 Phase II

CN(C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1)C1CCCCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL34431
Name	CILOSTAMIDE
Phase	Phase II
Structure Type	MOL
InChI Key	UIAYVIIHMORPSJ-UHFFFAOYSA-N

Known Names

Cilostamida Cilostamide OPC-3689

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

342.4

MW (Da)

3.48

ALogP

HBA

HBD

62.4

PSA (Å²)

0.82

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Extended Properties

Molecular Formula	C20H26N2O3
MW	342.44
Aromatic Rings	2
Heavy Atoms	25
NP-Likeness	-1.04

Activity Summary

IC50 19 meas. best 8.0

Ki 4 meas. best 8.3

EC50 3 meas. best 8.04

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphodiesterase 3 CHEMBL2094125	Ki	8.3	8.0	5.0	2
C3H 10T1/2 CHEMBL614531	EC50	8.04	8.04	9.1	1
Phosphodiesterase 3 CHEMBL2094125	IC50	8.0	7.4467	10.0	3
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241	IC50	7.8	7.77	16.0	2
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B CHEMBL290	IC50	7.75	7.455	18.0	2
Unchecked CHEMBL612545	IC50	7.26	6.44	55.0	2
Rattus norvegicus CHEMBL376	EC50	5.92	5.42	1200.0	2
Platelet-activating factor receptor CHEMBL250	Ki	5.72	5.72	1917.0	1
Homo sapiens CHEMBL372	IC50	5.72	5.72	1900.0	1
Oryctolagus cuniculus CHEMBL374	IC50	5.66	5.66	2200.0	1
Plasmodium falciparum CHEMBL364	IC50	5.6	5.1	2511.9	6
Platelet-activating factor receptor CHEMBL250	IC50	5.43	5.43	3687.0	1
cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827	IC50	5.15	5.15	7150.0	1
Phosphodiesterase 1 CHEMBL2095150	Ki	4.66	4.66	22000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Phosphodiesterase 3	Ki	=	5.0	nM	8.3	Binding affinity for low Km cAMP phosphodiesterase PDE III of human platelets	2985781
C3H 10T1/2	EC50	=	9.1	nM	8.04	Induction of lipolysis in mouse C3H10T1/2 assessed as glycerol concentration	21330134
Phosphodiesterase 3	IC50	=	10.0	nM	8.0	Inhibitory concentration against phosphodiesterase 3 from human platelet	15125967
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A	IC50	=	16.0	nM	7.8	Inhibitory concentration required to inhibit human phosphodiesterase 3A expresse...	14592490
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B	IC50	=	18.0	nM	7.75	Inhibitory concentration required to inhibit human phosphodiesterase 3B expresse...	14592490
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A	IC50	=	18.1	nM	7.74	Inhibition of human recombinant PDE3A	21330134
Phosphodiesterase 3	Ki	=	20.0	nM	7.7	Inhibition of human phosphodiesterase 3	15887951
Phosphodiesterase 3	IC50	=	27.0	nM	7.57	Inhibition of human recombinant PDE3 expressed in Escherichia coli	37077378
Unchecked	IC50	=	55.0	nM	7.26	DRUGMATRIX: Phosphodiesterase PDE3 enzyme inhibition (substrate: [3H]cAMP + cAMP...	-
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B	IC50	=	69.07	nM	7.16	Inhibition of human recombinant PDE3B	21330134
Phosphodiesterase 3	IC50	=	170.0	nM	6.77	In vitro inhibition of cyclic AMP phosphodiesterase from human platelets.	3027338
Rattus norvegicus	EC50	=	1200.0	nM	5.92	In vitro inhibition of collagen-induced blood platelet aggregation	7265124
Platelet-activating factor receptor	Ki	=	1917.0	nM	5.72	DRUGMATRIX: Platelet Activating Factor (PAF) radioligand binding (ligand: [3H] P...	-
Homo sapiens	IC50	=	1900.0	nM	5.72	Inhibition of ADP-induced platelet aggregation	3027338
Oryctolagus cuniculus	IC50	=	2200.0	nM	5.66	In vitro inhibitory activity against collagen induced rabbit platelet aggregatio...	9873372
Unchecked	IC50	=	2400.0	nM	5.62	In vitro inhibitory activity against Adenosine diphosphate (ADP) induced rabbit ...	9873372
Plasmodium falciparum	IC50	=	2511.89	nM	5.6	Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR g...	19734910
Platelet-activating factor receptor	IC50	=	3687.0	nM	5.43	DRUGMATRIX: Platelet Activating Factor (PAF) radioligand binding (ligand: [3H] P...	-
Plasmodium falciparum	IC50	=	6309.57	nM	5.2	Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g...	19734910
cGMP-specific 3',5'-cyclic phosphodiesterase	IC50	=	7150.0	nM	5.15	Inhibitory concentration against phosphodiesterase 5 (PDE5) from human platelet	15125967

Literature References

PubMed	DOI	Target Context	# Activities
7265124	10.1021/jm00136a005	Rattus norvegicus	18
19734910	10.1038/nchembio.215	Plasmodium falciparum	6
21330134	10.1016/j.bmcl.2011.01.120	Unchecked	5
7265124	10.1021/jm00136a005	Unchecked	4
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
31035240	10.1016/j.ejmech.2019.04.020	cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B	3
31035240	10.1016/j.ejmech.2019.04.020	cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A	3
21330134	10.1016/j.bmcl.2011.01.120	C3H 10T1/2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
15125967	10.1016/j.bmcl.2004.03.021	Phosphodiesterase 1	1
7265124	10.1021/jm00136a005	Oryctolagus cuniculus	1
-	10.6019/CHEMBL5724796	Bromodomain-containing protein 4	1
15125967	10.1016/j.bmcl.2004.03.021	cGMP-dependent 3',5'-cyclic phosphodiesterase	1
9873372	10.1016/s0960-894x(98)00246-7	Oryctolagus cuniculus	1
2985781	10.1021/jm50001a001	Phosphodiesterase 3	1
2985781	10.1021/jm50001a001	Phosphodiesterase 1	1
3027338	10.1021/jm00385a011	Unchecked	1
3027338	10.1021/jm00385a011	Phosphodiesterase 3	1

Data from ChEMBL 36 via Core Engine