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]
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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

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]

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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.