Details of the Drug

General Information of Drug (ID: DMZ5ISH)

Drug Name
Imidazolidin-2-ylidene-quinoxalin-6-yl-amine
Synonyms
91147-43-2; CHEMBL49395; Brimonidine impurity II; 6-Quinoxalinamine, N-(4,5-dihydro-1H-imidazol-2-yl)-; SCHEMBL679239; N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine; SCHEMBL12860178; ZINC14042; CTK3I1267; DTXSID00436663; MolPort-039-240-453; N-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-6-QUINOXALINAMINE; BDBM50213029; N-quinoxalin-6-ylimidazolidin-2-imine; AKOS030240596
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) 213.24
Logarithm of the Partition Coefficient (xlogp) -0.1
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H11N5
IUPAC Name
N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
Canonical SMILES
C1CN=C(N1)NC2=CC3=NC=CN=C3C=C2
InChI
InChI=1S/C11H11N5/c1-2-9-10(13-4-3-12-9)7-8(1)16-11-14-5-6-15-11/h1-4,7H,5-6H2,(H2,14,15,16)
InChIKey
PVKUNRLEOHFACD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10198248
ChEBI ID
CHEMBL49395
CAS Number
91147-43-2
TTD ID
D0N7UE
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor alpha-1A (ADRA1A) TTNGILX ADA1A_HUMAN Inhibitor [1]
Adrenergic receptor alpha-1B (ADRA1B) TTBRKXS ADA1B_HUMAN Inhibitor [1]
Adrenergic receptor alpha-1D (ADRA1D) TT34BHT ADA1D_HUMAN Inhibitor [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Adrenergic receptor alpha-1A (ADRA1A) DTT ADRA1A 9.43E-01 -0.03 -0.25
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References

1 Analogs of UK 14,304: Structural features responsible for alpha2 adrenoceptor activity, Bioorg. Med. Chem. Lett. 5(15):1745-1750 (1995).