Details of the Drug

General Information of Drug (ID: DMQUKBG)

• Drug Name: CARCININE
• Synonyms: Carcinine; 56897-53-1; N-(2-(1H-Imidazol-5-yl)ethyl)-3-aminopropanamide; beta-Alanylhistamine; UNII-WIV0W167TC; WIV0W167TC; N-[2-(1H-imidazol-5-yl)ethyl]-beta-alaninamide; SPBio_002343; beta-alaninylhistamine; N-beta-alanylhistamine; AC1L1DZE; Prestwick2_000422; Prestwick1_000422; Prestwick0_000422; Prestwick3_000422; Lopac-C-2321; AC1Q5P6Q; n-[2-(1h-imidazol-5-yl)ethyl]-; A-alaninamide; Lopac0_000210; BSPBio_000404; KSC921E6R; MLS002153803; SCHEMBL2819350; CHEMBL461024; BPBio1_000446; SCHEMBL19051459; CHEBI:95262; CTK8C1268

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); 182.22
  Logarithm of the Partition Coefficient (xlogp); -1.5
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C8H14N4O
  IUPAC Name: 3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
  Canonical SMILES: C1=C(NC=N1)CCNC(=O)CCN
  InChI: InChI=1S/C8H14N4O/c9-3-1-8(13)11-4-2-7-5-10-6-12-7/h5-6H,1-4,9H2,(H,10,12)(H,11,13)
  InChIKey: ANRUJJLGVODXIK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2574
  ChEBI ID: CHEBI:95262
  CAS Number: 56897-53-1
  TTD ID: D06ZBV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H3 receptor (H3R)	TT9JNIC	HRH3_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
Histamine H3 receptor (H3R)	DTT	HRH3	3.62E-02	-0.09	-0.22

References

• [1] The alkaloid conessine and analogues as potent histamine H3 receptor antagonists. J Med Chem. 2008 Sep 11;51(17):5423-30.