Details of the Drug

General Information of Drug (ID: DMCP5U8)

• Drug Name: 5-(2-Imidazol-1-yl-ethyl)-7,8-dihydro-quinoline
• Synonyms: CHEMBL293122; dihydroquinoline 31; BDBM10027; ZINC13808192; 5-[2-(Imidazol-1-yl)ethyl]-7,8-dihydroquinoline; 5-[2-(1H-imidazol-1-yl)ethyl]-7,8-dihydroquinoline

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 225.29
  Logarithm of the Partition Coefficient (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C14H15N3
  IUPAC Name: 5-(2-imidazol-1-ylethyl)-7,8-dihydroquinoline
  Canonical SMILES: C1CC2=C(C=CC=N2)C(=C1)CCN3C=CN=C3
  InChI: InChI=1S/C14H15N3/c1-3-12(6-9-17-10-8-15-11-17)13-4-2-7-16-14(13)5-1/h2-4,7-8,10-11H,1,5-6,9H2
  InChIKey: DJMSMHXCSIBVSA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10561174
  ChEBI ID: CHEMBL293122
  TTD ID: D04ZGF
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase 1 (COX-1)	TT8NGED	PGH1_HUMAN	Inhibitor	[1]
Prostaglandin G/H synthase 2 (COX-2)	TTVKILB	PGH2_HUMAN	Inhibitor	[1]
Thromboxane-A synthase (TBXAS1)	TTKNWZ4	THAS_HUMAN	Inhibitor	[1]

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
Prostaglandin G/H synthase 2 (COX-2)	DTT	PTGS2	7.93E-04	-0.29	-0.34
Prostaglandin G/H synthase 1 (COX-1)	DTT	PTGS1	3.97E-03	0.16	0.43

References

• [1] 1-imidazolyl(alkyl)-substituted di- and tetrahydroquinolines and analogues: syntheses and evaluation of dual inhibitors of thromboxane A(2) synthas... J Med Chem. 2000 May 4;43(9):1841-51.