Compound Detail

CHEMBL521179

SR-3677

Enter ChEMBL ID:

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

CN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)C1COc2ccccc2O1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL521179
Name	SR-3677
Phase	Preclinical
Structure Type	MOL
InChI Key	OQWZIAVXCYIZNN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

408.5

MW (Da)

2.80

ALogP

HBA

HBD

88.7

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 10 meas. best 8.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Rho-associated protein kinase 2 CHEMBL2973	IC50	8.52	8.51	3.0	3
Unchecked CHEMBL612545	IC50	8.46	6.5933	3.5	3
Rho-associated protein kinase 1 CHEMBL3231	IC50	7.25	7.25	56.0	3
RAC-alpha serine/threonine-protein kinase CHEMBL4282	IC50	5.12	5.12	7491.0	1

Parameter	Value	Units	Species
AUC	285.92	ng.hr.mL-1	Rattus norvegicus
CL	61.0	mL.min-1.kg-1	Rattus norvegicus
Cmax	50.0	nM	Rattus norvegicus
F	7.0	%	Rattus norvegicus
T1/2	0.5833	hr	Homo sapiens
T1/2	0.8	hr	Rattus norvegicus
Vd	3.0	L.kg-1	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Rho-associated protein kinase 2	IC50	=	3.0	nM	8.52	Inhibition of ROCK2 (unknown origin) using STK2 as substrate after 1 hr	26356532
Rho-associated protein kinase 2	IC50	=	3.0	nM	8.52	Inhibition of ROCK2 (unknown origin)	37943013
Rho-associated protein kinase 2	IC50	=	3.2	nM	8.49	Inhibition of ROCK2	18834107
Unchecked	IC50	=	3.5	nM	8.46	Inhibition of myosin light chain bisphosphorylation in rat A7r5 cells after 1 hr	18834107
Rho-associated protein kinase 1	IC50	=	56.0	nM	7.25	Inhibition of ROCK1	18834107
Rho-associated protein kinase 1	IC50	=	56.0	nM	7.25	Inhibition of ROCK1 (unknown origin)	26356532
Rho-associated protein kinase 1	IC50	=	56.0	nM	7.25	Inhibition of ROCK1 (unknown origin)	37943013
Unchecked	IC50	=	1190.0	nM	5.92	Inhibition of MRCK after 75 mins by kinase-glo assay	18834107
Unchecked	IC50	=	3968.0	nM	5.4	Inhibition of PKA after 70 mins by kinase-glo assay	18834107
RAC-alpha serine/threonine-protein kinase	IC50	=	7491.0	nM	5.12	Inhibition of AKT1 after 55 mins	18834107

PubMed	DOI	Target Context	# Activities
18834107	10.1021/jm800986w	Unchecked	43
18834107	10.1021/jm800986w	Epidermal growth factor receptor	10
18834107	10.1021/jm800986w	Tyrosine-protein kinase ABL1	9
18834107	10.1021/jm800986w	Rattus norvegicus	6
18834107	10.1021/jm800986w	Receptor-type tyrosine-protein kinase FLT3	5
18834107	10.1021/jm800986w	Mast/stem cell growth factor receptor Kit	5
18834107	10.1021/jm800986w	Proto-oncogene tyrosine-protein kinase receptor Ret	4
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
18834107	10.1021/jm800986w	Gamma-aminobutyric acid receptor subunit alpha-1	2
18834107	10.1021/jm800986w	Glutamate NMDA receptor	2
18834107	10.1021/jm800986w	Myosin light chain kinase, smooth muscle	2
18834107	10.1021/jm800986w	Mu-type opioid receptor	2
18834107	10.1021/jm800986w	Fibroblast growth factor receptor 3	2
18834107	10.1021/jm800986w	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	2
18834107	10.1021/jm800986w	Serine/threonine-protein kinase B-raf	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
18834107	10.1021/jm800986w	RAC-alpha serine/threonine-protein kinase	2
18834107	10.1021/jm800986w	Rho-associated protein kinase 2	2
37943013	10.1021/acs.jmedchem.3c01297	Rho-associated protein kinase 1	1
18834107	10.1021/jm800986w	Adenosine receptor A1	1

Data from ChEMBL 36 via Core Engine