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]
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
ChEBI ID
CHEMBL2104951
CAS Number
865433-00-7
TTD ID
D0T2LP
VARIDT ID
DR00764
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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]
Molecular Interaction Atlas (MIA) 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.