Details of the Drug

General Information of Drug (ID: DM0LWUV)

Drug Name
SC-51322
Synonyms 146032-79-3
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 457.9
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C22H20ClN3O4S
IUPAC Name
3-chloro-N'-[3-(furan-2-ylmethylsulfanyl)propanoyl]-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide
Canonical SMILES
C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CCSCC4=CC=CO4)C=C(C=C3)Cl
InChI
InChI=1S/C22H20ClN3O4S/c23-16-7-8-20-18(12-16)26(13-15-4-1-2-6-19(15)30-20)22(28)25-24-21(27)9-11-31-14-17-5-3-10-29-17/h1-8,10,12H,9,11,13-14H2,(H,24,27)(H,25,28)
InChIKey
CQBVTZDISUKDSX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9933831
ChEBI ID
CHEMBL358653
CAS Number
146032-79-3
TTD ID
D0V9QT
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Prostaglandin E2 receptor EP1 (PTGER1) TTG1QMU PE2R1_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Antihypertensive effects of selective prostaglandin E2 receptor subtype 1 targeting. J Clin Invest. 2007 Sep;117(9):2496-505.