Details of the Drug

General Information of Drug (ID: DM9BREJ)

Drug Name

MYK-491

Synonyms

Danicamtiv; UNII-7B2CS922HI; 7B2CS922HI; SAR440181; 1970972-74-7; Danicamtiv [INN]; Danicamtiv [USAN]; Danicamtiv (USAN/INN); MYK491; CHEMBL4594304; SCHEMBL17942536; WHO 10942; SAR-440181; HY-109128; CS-0086762; D11824; (R)-4-(1-((3-(Difluoromethyl)-1-methyl-1H-pyrazol-4-yl)sulfonyl)-1-fluoroethyl)-N-(isoxazol-3-yl)piperidine-1-carboxamide; 1-Piperidinecarboxamide, 4-((1R)-1-((3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)sulfonyl)-1-fluoroethyl)-N-3-isoxazolyl-

Indication

Disease Entry	ICD 11	Status	REF
Dilated cardiomyopathy	BC43.0	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

435.4

Logarithm of the Partition Coefficient (xlogp)

1.2

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C16H20F3N5O4S
IUPAC Name: 4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
Canonical SMILES: C[C@@](C1CCN(CC1)C(=O)NC2=NOC=C2)(F)S(=O)(=O)C3=CN(N=C3C(F)F)C
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
InChIKey: NREKKBAMVWQRES-MRXNPFEDSA-N

Cross-matching ID

PubChem CID: 122424426
CAS Number: 1970972-74-7
TTD ID: DT52FI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Myosin (MYO)	TTITSMB	NOUNIPROTAC	Activator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT03447990) Study Evaluating the Safety, Tolerability and Preliminary Pharmacokinetics and Pharmacodynamics of MYK-491. U.S. National Institutes of Health.
2	Effects of danicamtiv, a novel cardiac myosin activator, in heart failure with reduced ejection fraction: experimental data and clinical results from a phase 2a trial. Eur J Heart Fail. 2020 Sep;22(9):1649-1658.