MOLSIDOMINE

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Search structure


Synonyms	CAS 276 CAS-276 Corvasal Corvaton Corvaton mite Corvaton ret Molsidomine Morsydomine NSC-757398
Status
Molecule Category	Free-form
ATC	C01DX12
UNII	D46583G77X
EPA CompTox	DTXSID0045171

Structure


InChI Key	XLFWDASMENKTKL-UHFFFAOYSA-N
Smiles	CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1
InChI	InChI=1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C9H14N4O4
Molecular Weight	242.24
AlogP	0.09
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	3.0
Polar Surface Area	82.78
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	17.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	70.9-97.14

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	70.9-97.14

Cross References

Resources	Reference
ChEBI	92623
ChEMBL	CHEMBL1329455
DrugBank	DB09282
FDA SRS	D46583G77X
PubChem	4238
SureChEMBL	SCHEMBL34019

CONTENTS

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