Details of the Drug

General Information of Drug (ID: DMV2Y6L)

Drug Name
Alinidine
Synonyms ST-567
Indication
Disease Entry ICD 11 Status REF
Angina pectoris BA40 Discontinued in Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 270.15
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C12H13Cl2N3
IUPAC Name
N-(2,6-dichlorophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
Canonical SMILES
C=CCN(C1=C(C=CC=C1Cl)Cl)C2=NCCN2
InChI
InChI=1S/C12H13Cl2N3/c1-2-8-17(12-15-6-7-16-12)11-9(13)4-3-5-10(11)14/h2-5H,1,6-8H2,(H,15,16)
InChIKey
OXTYVEUAQHPPMV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
36354
CAS Number
33178-86-8
TTD ID
D03LQQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Potassium channel unspecific (KC) TT1VOHK NOUNIPROTAC Blocker [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Potassium voltage-gated channel subfamily H member 2 (KCNH2) OTZX881H KCNH2_HUMAN Gene/Protein Processing [3]
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 800000286)
2 Decrease in bradycardic effect of AQ-A 39 and alinidine in guinea-pig sinoatrial node depolarized by high external K+-concentration. Naunyn Schmiedebergs Arch Pharmacol. 1984 Dec;328(2):210-3.
3 Why are most phospholipidosis inducers also hERG blockers?. Arch Toxicol. 2017 Dec;91(12):3885-3895. doi: 10.1007/s00204-017-1995-9. Epub 2017 May 27.