Compound Detail

CHEMBL18701

RO-201724

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CCCCOc1cc(CC2CNC(=O)N2)ccc1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL18701
Name	RO-201724
Phase	Preclinical
Structure Type	MOL
InChI Key	PDMUULPVBYQBBK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

278.4

MW (Da)

2.10

ALogP

HBA

HBD

59.6

PSA (Å²)

0.75

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 17 meas. best 5.75

EC50 2 meas. best 6.92

Ki 1 meas. best 5.71

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cavia porcellus CHEMBL369	EC50	6.92	6.92	120.0	1
Homo sapiens CHEMBL372	IC50	5.75	5.75	1800.0	1
3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275	Ki	5.71	5.71	1930.0	1
Phosphodiesterase 4 CHEMBL2093863	IC50	5.7	5.2	2000.0	3
3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254	EC50	5.48	5.48	3300.0	1
3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254	IC50	5.37	5.37	4300.0	1
Phosphodiesterase 4 CHEMBL2094267	IC50	5.22	5.22	6000.0	1
Phosphodiesterase; PDE3 & PDE4 CHEMBL2095153	IC50	5.04	5.04	9100.0	1
Unchecked CHEMBL612545	IC50	4.95	4.54	11316.0	2
Tumor necrosis factor CHEMBL1825	IC50	4.3	4.3	50000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cavia porcellus	EC50	=	120.0	nM	6.92	In vitro guinea pig tracheal relaxation	9379444
Homo sapiens	IC50	=	1800.0	nM	5.75	Inhibition of LPS-induced TNF-alpha secretion from purified human peripheral blo...	7490734
3',5'-cyclic-AMP phosphodiesterase 4B	Ki	=	1930.0	nM	5.71	Inhibition of human Phosphodiesterase 4B	7490734
Phosphodiesterase 4	IC50	=	2000.0	nM	5.7	Inhibition of PDE4 (unknown origin)	33412421
3',5'-cyclic-AMP phosphodiesterase 4A	EC50	=	3300.0	nM	5.48	Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 ...	21456625
3',5'-cyclic-AMP phosphodiesterase 4A	IC50	=	4300.0	nM	5.37	Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemic...	21456625
Phosphodiesterase 4	IC50	=	4800.0	nM	5.32	Inhibitory activity against Phosphodiesterase 4 from heart.	9379444
Phosphodiesterase 4	IC50	=	6000.0	nM	5.22	Inhibition of cAMP-specific calcium-independent phosphodiesterase (IPDE)	1992129
Phosphodiesterase; PDE3 & PDE4	IC50	=	9100.0	nM	5.04	Inhibition of low Km cAMP phosphodiesterase PDE III of human lung	2985781
Unchecked	IC50	=	11316.0	nM	4.95	DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP...	-
Phosphodiesterase 4	IC50	=	26000.0	nM	4.58	Inhibitory activity against phosphodiesterase was determined in vitro using bovi...	2544722
Tumor necrosis factor	IC50	=	50000.0	nM	4.3	TNF-alpha production in PBMC by ELISA method	8568809
Unchecked	IC50	=	74100.0	nM	4.13	Inhibition of rat brain cytosolic cAMP phosphodiesterase	6292419

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
6292419	10.1021/jm00352a019	Unchecked	4
21456625	10.1021/jm200070e	3',5'-cyclic-AMP phosphodiesterase 4A	2
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	2
9379444	10.1021/jm970089s	Cavia porcellus	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
2544722	10.1021/jm00127a009	Phosphodiesterase 4	1
7490734	10.1021/jm00024a012	Homo sapiens	1
8568809	10.1021/jm940845j	Tumor necrosis factor	1
2985781	10.1021/jm50001a001	Phosphodiesterase; PDE3 & PDE4	1
2985781	10.1021/jm50001a001	cGMP-dependent 3',5'-cyclic phosphodiesterase	1
2985781	10.1021/jm50001a001	Phosphodiesterase 1	1
1992129	10.1021/jm00105a045	Phosphodiesterase 4	1
9379444	10.1021/jm970089s	Phosphodiesterase 1	1
2544722	10.1021/jm00127a009	Phosphodiesterase 1	1
6292419	10.1021/jm00352a019	cGMP-dependent 3',5'-cyclic phosphodiesterase	1
33412421	10.1016/j.ejmech.2020.113123	Phosphodiesterase 4	1
2579237	10.1021/jm00381a019	Sodium channel alpha subunits; brain (Types I, II, III)	1
9379444	10.1021/jm970089s	Phosphodiesterase 4	1

Data from ChEMBL 36 via Core Engine