Details of the Drug

General Information of Drug (ID: DMHX6IC)

Drug Name
ME-3221
Synonyms EF-2831
Indication
Disease Entry ICD 11 Status REF
Hypertension BA00-BA04 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 387.4
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C22H21N5O2
IUPAC Name
3-methoxy-2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
Canonical SMILES
CC1=CC(=C(C(=N1)C)OC)OCC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4
InChI
InChI=1S/C22H21N5O2/c1-14-12-20(21(28-3)15(2)23-14)29-13-16-8-10-17(11-9-16)18-6-4-5-7-19(18)22-24-26-27-25-22/h4-12H,13H2,1-3H3,(H,24,25,26,27)
InChIKey
FTDRSCZZEUAAIP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
178553
ChEBI ID
CHEMBL352257
CAS Number
139958-16-0
TTD ID
D0T5SG
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Angiotensin II receptor (AGTR) TTGN1ZA NOUNIPROTAC 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 800002995)
2 Protective effects of ME3221 on hypertensive complications and lifespan in salt-loaded stroke-prone spontaneously hypertensive rats. Clin Exp Pharmacol Physiol. 1996 Mar;23(3):229-35.