Details of the Drug

General Information of Drug (ID: DMNGQM0)

Drug Name

ARM036

Synonyms

ALADORIAN; UNII-PJ5KSA836G; PJ5KSA836G; 865433-00-7; ARM036; Aladorian [USAN:INN]; Aladorian (USAN/INN); S44121-1; SCHEMBL3423110; CHEMBL2104951; DTXSID40235657; FPWBHFYYVSNIFZ-UHFFFAOYSA-N; s44121; D10304; (7-methoxy-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)oxoacetic acid; 1,4-Benzothiazepine-4(5H)-acetic acid, 2,3-dihydro-7-methoxy-alpha-oxo-; 2-(7-Methoxy-2,3-dihydrobenzo[f][1,4]thiazepin-4(5H)-yl)-2-oxoacetic acid

Indication

Disease Entry	ICD 11	Status	REF
Heart failure	BD10-BD13	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

267.3

Logarithm of the Partition Coefficient (xlogp)

1.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C12H13NO4S
IUPAC Name: 2-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxoacetic acid
Canonical SMILES: COC1=CC2=C(C=C1)SCCN(C2)C(=O)C(=O)O
InChI: InChI=1S/C12H13NO4S/c1-17-9-2-3-10-8(6-9)7-13(4-5-18-10)11(14)12(15)16/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKey: FPWBHFYYVSNIFZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11161474
CAS Number: 865433-00-7
TTD ID: D0T2LP
VARIDT ID: DR00764

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Ryanodine receptor 1 (RYR1)	TTU5CIX	RYR1_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800034371)
2	The Ryanodine Receptor Stabilizer S44121 / Arm036 Improves Peripheral and Respiratory Muscle Function in a Mouse Model of Heart Failure. Circulation. 2014; 130: A13726.