Compound Detail

CHEMBL356323

CIPAMFYLLINE

🧪 Phase II

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🧪 Phase II

Nc1nc2c([nH]1)c(=O)n(CC1CC1)c(=O)n2CC1CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL356323
Name	CIPAMFYLLINE
Phase	Phase II
Structure Type	MOL
InChI Key	KSPYMJJKQMWWNB-UHFFFAOYSA-N

Known Names

BRL 61063 BRL-61063 BRL61063 Cipamfilina Cipamfylline

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

275.3

MW (Da)

0.29

ALogP

HBA

HBD

98.7

PSA (Å²)

0.84

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

USAN Stem	-fylline
USAN Year	1994

Extended Properties

Molecular Formula	C13H17N5O2
MW	275.31
Aromatic Rings	2
Heavy Atoms	20
NP-Likeness	-0.55

Activity Summary

IC50 5 meas. best 8.22

Ki 2 meas. best 5.12

EC50 1 meas. best 6.04

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphodiesterase 4 CHEMBL2094267	IC50	8.22	8.22	6.0	1
Adenosine receptor A1 CHEMBL318	IC50	6.77	6.77	170.0	1
3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254	EC50	6.04	6.04	910.0	1
3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254	IC50	5.8	5.8	1600.0	1
Phosphodiesterase 4 CHEMBL2093863	IC50	5.72	5.72	1900.0	1
cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827	Ki	5.12	5.12	7500.0	1
Phosphodiesterase 4 CHEMBL2093863	Ki	4.68	4.68	21000.0	1
cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827	IC50	4.15	4.15	71000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Phosphodiesterase 4	IC50	=	6.0	nM	8.22	Inhibitory concentration on phosphodiesterase IV (PDE IV) for ability to displac...	8120866
Adenosine receptor A1	IC50	=	170.0	nM	6.77	Inhibition of adenosine binding to A1 receptor of rat brain homogenates	8120866
3',5'-cyclic-AMP phosphodiesterase 4A	EC50	=	910.0	nM	6.04	Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 ...	21456625
3',5'-cyclic-AMP phosphodiesterase 4A	IC50	=	1600.0	nM	5.8	Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemic...	21456625
Phosphodiesterase 4	IC50	=	1900.0	nM	5.72	Concentration required to inhibit 50% activity of phosphodiesterase IV isoenzyme...	8120866
cGMP-specific 3',5'-cyclic phosphodiesterase	Ki	=	7500.0	nM	5.12	Inhibition of cGMP hydrolysis by PDE 5A	8120866
Phosphodiesterase 4	Ki	=	21000.0	nM	4.68	Inhibition of cAMP hydrolysis by PDE4	8120866
cGMP-specific 3',5'-cyclic phosphodiesterase	IC50	=	71000.0	nM	4.15	Concentration required to inhibit 50% activity of phosphodiesterase VA isoenzyme...	8120866

Literature References

PubMed	DOI	Target Context	# Activities
8120866	10.1021/jm00030a007	Phosphodiesterase 4	3
8120866	10.1021/jm00030a007	cGMP-specific 3',5'-cyclic phosphodiesterase	2
21456625	10.1021/jm200070e	3',5'-cyclic-AMP phosphodiesterase 4A	2
8120866	10.1021/jm00030a007	Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	1
8120866	10.1021/jm00030a007	Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C	1
8120866	10.1021/jm00030a007	cGMP-dependent 3',5'-cyclic phosphodiesterase	1
8120866	10.1021/jm00030a007	Phosphodiesterase 3	1
8120866	10.1021/jm00030a007	Adenosine receptor A1	1
24984230	10.1021/jm500378a	Mustela putorius furo	1

Data from ChEMBL 36 via Core Engine