EcoDrugPlus


Synonyms	Danicamtiv MYK-491 MYK491 Myk-491 SAR-440181 SAR440181
Status
Molecule Category	Free-form
UNII	7B2CS922HI

Synonyms

Danicamtiv

MYK-491

MYK491

Myk-491

SAR-440181

SAR440181

Status

Molecule Category

Free-form

UNII

7B2CS922HI


InChI Key	NREKKBAMVWQRES-MRXNPFEDSA-N
Smiles	Cn1cc(S(=O)(=O)[C@@](C)(F)C2CCN(C(=O)Nc3ccon3)CC2)c(C(F)F)n1
InChI	InChI=1S/C16H20F3N5O4S/c1-16(19,29(26,27)11-9-23(2)21-13(11)14(17)18)10-3-6-24(7-4-10)15(25)20-12-5-8-28-22-12/h5,8-10,14H,3-4,6-7H2,1-2H3,(H,20,22,25)/t16-/m1/s1

InChI Key

NREKKBAMVWQRES-MRXNPFEDSA-N

Smiles

Cn1cc(S(=O)(=O)[C@@](C)(F)C2CCN(C(=O)Nc3ccon3)CC2)c(C(F)F)n1

InChI

InChI=1S/C16H20F3N5O4S/c1-16(19,29(26,27)11-9-23(2)21-13(11)14(17)18)10-3-6-24(7-4-10)15(25)20-12-5-8-28-22-12/h5,8-10,14H,3-4,6-7H2,1-2H3,(H,20,22,25)/t16-/m1/s1

Property Name	Value
Molecular Formula	C16H20F3N5O4S
Molecular Weight	435.43
AlogP	2.75
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	110.33
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C16H20F3N5O4S

Molecular Weight

435.43

AlogP

2.75

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

110.33

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

29.0

Mechanism of Action	Action	Reference
Cardiac myosin activator	ACTIVATOR	PubMed

Mechanism of Action

Action

Reference

Cardiac myosin activator

ACTIVATOR

PubMed

Resources	Reference
ChEMBL	CHEMBL4594304
FDA SRS	7B2CS922HI
PubChem	122424426
SureChEMBL	SCHEMBL17942536

Resources

Reference

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

DANICAMTIV

Structure

Physicochemical Descriptors

Pharmacology

Cross References