EcoDrugPlus


Synonyms	CK-1827452 Omecamtiv mecarbil
Status
Molecule Category	Free-form
UNII	2M19539ERK

Synonyms

CK-1827452

Omecamtiv mecarbil

Status

Molecule Category

Free-form

UNII

2M19539ERK


InChI Key	RFUBTTPMWSKEIW-UHFFFAOYSA-N
Smiles	COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1
InChI	InChI=1S/C20H24FN5O3/c1-14-6-7-16(12-22-14)23-19(27)24-17-5-3-4-15(18(17)21)13-25-8-10-26(11-9-25)20(28)29-2/h3-7,12H,8-11,13H2,1-2H3,(H2,23,24,27)

InChI Key

RFUBTTPMWSKEIW-UHFFFAOYSA-N

Smiles

COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1

InChI

InChI=1S/C20H24FN5O3/c1-14-6-7-16(12-22-14)23-19(27)24-17-5-3-4-15(18(17)21)13-25-8-10-26(11-9-25)20(28)29-2/h3-7,12H,8-11,13H2,1-2H3,(H2,23,24,27)

Property Name	Value
Molecular Formula	C20H24FN5O3
Molecular Weight	401.44
AlogP	3.06
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	86.8
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C20H24FN5O3

Molecular Weight

401.44

AlogP

3.06

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

86.8

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

29.0

Mechanism of Action	Action	Reference
Cardiac myosin activator	ACTIVATOR	PubMed PubMed

Mechanism of Action

Action

Reference

Cardiac myosin activator

ACTIVATOR

PubMed PubMed

Resources	Reference
ChEMBL	CHEMBL1800955
DrugBank	DB11816
FDA SRS	2M19539ERK
Guide to Pharmacology	8740
PDB	2OW
PubChem	11689883
SureChEMBL	SCHEMBL400544
ZINC	ZINC000038253214

Resources

Reference

ChEMBL

CHEMBL1800955

DrugBank

DB11816

FDA SRS

2M19539ERK

Guide to Pharmacology

PDB

PubChem

SureChEMBL

ZINC

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

OMECAMTIV MECARBIL

Structure

Physicochemical Descriptors

Pharmacology

Cross References