Compound Detail

CHEMBL38380

FASUDIL

🧪 Phase III

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🧪 Phase III

O=S(=O)(c1cccc2cnccc12)N1CCCNCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL38380
Name	FASUDIL
Phase	Phase III
Structure Type	MOL
InChI Key	NGOGFTYYXHNFQH-UHFFFAOYSA-N

Known Names

AT 877 AT-877 Fasudil HA 1077 HA-1077 NSC-759827 ZK-258594

Targets

130

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

291.4

MW (Da)

1.22

ALogP

HBA

HBD

62.3

PSA (Å²)

0.90

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

USAN Stem

-dil

Extended Properties

Molecular Formula	C14H17N3O2S
MW	291.38
Aromatic Rings	2
Heavy Atoms	20
NP-Likeness	-1.64

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Rho-associated protein kinase inhibitor	INHIBITOR	Rho-associated protein kinase	✓	✓

Indications

Cardiovascular Diseases Amyotrophic Lateral Sclerosis Dementia Retinal Vein Occlusion Retinopathy of Prematurity

ATC Classification

C04AX32

fasudil

Level 1: CARDIOVASCULAR SYSTEM

Level 2: PERIPHERAL VASODILATORS

Activity Summary

IC50 54 meas. best 6.8

Ki 53 meas. best 7.5

Kd 23 meas. best 7.35

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Rho-associated protein kinase 1 CHEMBL3231	Ki	7.5	6.76	31.6	7
Rho-associated protein kinase 2 CHEMBL2973	Kd	7.35	6.83	45.0	3
Rho-associated protein kinase 1 CHEMBL3231	Kd	7.3	6.67	50.0	2
Rho-associated protein kinase 2 CHEMBL2973	Ki	7.3	7.0267	50.1	3
cAMP-dependent protein kinase catalytic subunit PRKX CHEMBL5818	Ki	7.3	7.3	50.1	2
cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101	Ki	7.1	7.1	79.4	2
Serine/threonine-protein kinase N3 CHEMBL3627581	Kd	7.0	7.0	99.0	1
Dual specificity protein kinase CLK1 CHEMBL4224	Kd	6.82	6.82	152.0	1
Rho-associated protein kinase 2 CHEMBL2973	IC50	6.8	6.2757	158.0	14
Rho-associated protein kinase CHEMBL2111459	IC50	6.75	6.75	180.0	1
No relevant target CHEMBL2362975	IC50	6.75	6.75	180.0	1
Unchecked CHEMBL612545	IC50	6.74	5.5118	182.0	11
Unchecked CHEMBL612545	Kd	6.61	6.495	247.0	2
Rho-associated protein kinase 1 CHEMBL3231	IC50	6.58	6.1675	260.0	8
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	6.5	6.5	316.2	2
Rho-associated protein kinase CHEMBL2111459	Ki	6.48	6.48	330.0	1
cAMP-dependent protein kinase (PKA) CHEMBL2094138	Ki	6.34	6.34	460.0	1
Protein kinase C theta type CHEMBL3920	Ki	6.2	6.2	631.0	2
Uterus CHEMBL4296544	IC50	6.11	6.11	781.0	1
Serine/threonine-protein kinase N2 CHEMBL3032	IC50	6.11	5.8733	780.0	3
Serine/threonine-protein kinase N1 CHEMBL3384	Kd	6.08	6.08	841.0	1
Serine/threonine-protein kinase D3 CHEMBL2595	Ki	6.0	6.0	1000.0	2
Ribosomal protein S6 kinase alpha-3 CHEMBL2345	Ki	6.0	6.0	1000.0	2
Ribosomal protein S6 kinase beta-1 CHEMBL4501	Ki	6.0	6.0	1000.0	1
Death-associated protein kinase 3 CHEMBL2468	Ki	5.9	5.9	1258.9	2
Cyclin-dependent kinase 8 CHEMBL5719	Ki	5.9	5.9	1258.9	2
Serine/threonine-protein kinase D2 CHEMBL4900	Ki	5.9	5.9	1258.9	2
HASMC CHEMBL614150	IC50	5.89	5.89	1300.0	1
Serine/threonine-protein kinase N1 CHEMBL3384	IC50	5.77	5.77	1700.0	1
Maternal embryonic leucine zipper kinase CHEMBL4578	Kd	5.72	5.72	1922.0	1
Rho-associated protein kinase 2 CHEMBL5490	IC50	5.72	5.72	1900.0	1
Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104	Ki	5.7	5.7	1995.3	2
Ribosyldihydronicotinamide dehydrogenase [quinone] CHEMBL3959	Kd	5.61	5.61	2451.0	1
Cyclin-dependent kinase 7 CHEMBL3055	Ki	5.6	5.6	2511.9	2
Protein kinase C delta type CHEMBL2996	Ki	5.6	5.6	2511.9	2
Cyclin-dependent kinase 5 CHEMBL4036	Ki	5.6	5.6	2511.9	2
Aurora kinase B CHEMBL2185	Ki	5.6	5.6	2511.9	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	5.6	5.6	2511.9	2
Serine/threonine-protein kinase N2 CHEMBL3032	Kd	5.58	5.58	2599.0	1
Protein kinase C epsilon type CHEMBL3582	IC50	5.52	5.52	3000.0	2
RAC-alpha serine/threonine-protein kinase CHEMBL4282	Ki	5.5	5.5	3162.3	2
Cyclin-dependent kinase 12 CHEMBL3559692	Kd	5.46	5.46	3480.0	1
Myosin light chain kinase, smooth muscle CHEMBL2428	IC50	5.44	5.055	3600.0	2
Protein kinase C gamma type CHEMBL2938	Ki	5.4	5.4	3981.1	2
Serine/threonine-protein kinase LATS1 CHEMBL6167	Kd	5.38	5.38	4170.0	1
Cyclin-dependent kinase 9 CHEMBL3116	Kd	5.37	5.37	4251.0	1
Cyclin-dependent kinase 13 CHEMBL1795192	Kd	5.34	5.34	4518.0	1
cAMP-dependent protein kinase (PKA) CHEMBL2094138	IC50	5.34	5.34	4580.0	2
Protein kinase C delta type CHEMBL2996	Kd	5.32	5.32	4789.0	1
Ribosomal protein S6 kinase alpha-5 CHEMBL4237	IC50	5.3	5.3	5000.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
AUC	-	-	Rattus norvegicus
CL	-	-	Rattus norvegicus
CL	318.0	mL.min-1.kg-1	Mus musculus
CL	10.0	mL.min-1.g-1	Homo sapiens
CL	150.0	uL.min-1.(10^6cells)-1	Homo sapiens
CL	198.1	mL.min-1.kg-1	Mus musculus
CL	35.7	uL.min-1.(10^6cells)-1	Homo sapiens
CL	73.2	mL.min-1.kg-1	Homo sapiens
F	-	%	Rattus norvegicus
F	3.6	%	Mus musculus
Fu	0.51	-	Homo sapiens
t1/2	-	-	Rattus norvegicus
T1/2	1.217	hr	Homo sapiens
t1/2	-	-	Rattus norvegicus
T1/2	0.02	hr	Mus musculus
T1/2	0.3	hr	Mus musculus
T1/2	0.26	hr	Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Rho-associated protein kinase 1	Ki	=	31.62	nM	7.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Rho-associated protein kinase 1	Ki	=	31.62	nM	7.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Rho-associated protein kinase 2	Kd	=	45.0	nM	7.35	Competition Binding Assay (ATP 10 uM) : Compounds were tested using an 11-point ...	-
cAMP-dependent protein kinase catalytic subunit PRKX	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
cAMP-dependent protein kinase catalytic subunit PRKX	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Rho-associated protein kinase 2	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Rho-associated protein kinase 2	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Rho-associated protein kinase 1	Kd	=	50.0	nM	7.3	Competition Binding Assay (ATP 10 uM) : Compounds were tested using an 11-point ...	-
Rho-associated protein kinase 2	Kd	=	78.0	nM	7.11	Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by...	22521647
cAMP-dependent protein kinase catalytic subunit alpha	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
cAMP-dependent protein kinase catalytic subunit alpha	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase N3	Kd	=	99.0	nM	7.0	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Rho-associated protein kinase 1	Ki	=	100.0	nM	7.0	Inhibition of ROCK-1	21145740
Dual specificity protein kinase CLK1	Kd	=	152.0	nM	6.82	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Rho-associated protein kinase 2	IC50	=	158.0	nM	6.8	Inhibition of ROCK2 (unknown origin)	33730624
Rho-associated protein kinase 2	IC50	=	158.0	nM	6.8	Inhibition of ROCK2 (unknown origin)	24211637
Rho-associated protein kinase 2	IC50	=	158.0	nM	6.8	Inhibition of human ROCK2	34236862
No relevant target	IC50	=	180.0	nM	6.75	Solubility at pH 4.5	20000469
Rho-associated protein kinase	IC50	=	180.0	nM	6.75	Inhibition of Rho kinase	17084087
Unchecked	IC50	=	181.97	nM	6.74	Inhibition of ROCK	20347188

Literature References

PubMed	DOI	Target Context	# Activities
10998351	10.1042/0264-6021:3510095	Unchecked	9
33569941	10.1021/acs.jmedchem.0c01901	Rattus norvegicus	6
29909615	10.1021/acs.jmedchem.8b00105	cAMP-dependent protein kinase catalytic subunit alpha	6
20462760	10.1016/j.bmcl.2010.04.070	Rattus norvegicus	5
37468498	10.1038/s41467-023-40064-9	Alpha-1A adrenergic receptor	4
23398362	10.1042/bj20121418	Insulin receptor	4
23398362	10.1042/bj20121418	Tyrosine-protein kinase Lck	4
23398362	10.1042/bj20121418	cGMP-dependent protein kinase 1	4
23398362	10.1042/bj20121418	Protein kinase C beta type	4
23398362	10.1042/bj20121418	Cyclin-dependent kinase 5/CDK5 activator 1	4
23398362	10.1042/bj20121418	Serine/threonine-protein kinase mTOR	4
29269216	10.1016/j.bmcl.2017.12.017	Uterus	4
23398362	10.1042/bj20121418	Tyrosine-protein kinase HCK	4
19740074	10.1042/bj20091035	Leucine-rich repeat serine/threonine-protein kinase 2	4
23398362	10.1042/bj20121418	Insulin-like growth factor 1 receptor	4
29191878	10.1126/science.aan4368	Unchecked	4
21145740	10.1016/j.bmcl.2010.11.060	Mus musculus	4
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
22521647	10.1016/j.bmcl.2012.03.101	Unchecked	3
20014752	10.1021/tx900326k	Hepatotoxicity	3

Data from ChEMBL 36 via Core Engine