EcoDrugPlus


Synonyms	Fasudil Fasudil hydrochloride
Status
Molecule Category	Salt-form
UNII	SQ04N8S7BR
EPA CompTox	DTXSID1045615
Parent Compound:	FASUDIL

Synonyms

Fasudil

Fasudil hydrochloride

Status

Molecule Category

Salt-form

UNII

SQ04N8S7BR

EPA CompTox

DTXSID1045615

Parent Compound:

FASUDIL


InChI Key	LFVPBERIVUNMGV-UHFFFAOYSA-N
Smiles	Cl.O=S(=O)(c1cccc2cnccc12)N1CCCNCC1
InChI	InChI=1S/C14H17N3O2S.ClH/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14;/h1,3-5,7,11,15H,2,6,8-10H2;1H

InChI Key

LFVPBERIVUNMGV-UHFFFAOYSA-N

Smiles

Cl.O=S(=O)(c1cccc2cnccc12)N1CCCNCC1

InChI

InChI=1S/C14H17N3O2S.ClH/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14;/h1,3-5,7,11,15H,2,6,8-10H2;1H

Property Name	Value
Molecular Formula	C14H18ClN3O2S
Molecular Weight	327.84
AlogP	1.22
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	62.3
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C14H18ClN3O2S

Molecular Weight

327.84

AlogP

1.22

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

62.3

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

20.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase DMPK family AGC protein kinase ROCK subfamily	-	180	-	-	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase DMPK family AGC protein kinase ROCK subfamily

180

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	180	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

180

Resources	Reference
ChEBI	31593
ChEMBL	CHEMBL541388
FDA SRS	SQ04N8S7BR
PubChem	163751
SureChEMBL	SCHEMBL317082

Resources

Reference

ChEBI

ChEMBL

FDA SRS

PubChem

SureChEMBL

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

FASUDIL HYDROCHLORIDE

Structure

Physicochemical Descriptors

Pharmacology

Cross References