Details of the Drug

General Information of Drug (ID: DMMNUZC)

• Drug Name: MK-912
• Synonyms: MK-912; L 657743; MK 912; L-657,743; L-657,743-002W; L 657,743; 1',3'-Dimethylspiro(1,3,4,5',6,6',7,12b-octahydro-2H-benzo(b)furo(2,3-a)quinolizine)-2,4'-pyrimidin-2'-one; AC1L3X3J; Lopac0_000760; CHEMBL1256985; BDBM81811; Spiro(2H-benzofuro(2,3-a)quinolizine-2,4'(1'H)-pyrimidin)-2'(3'H)-one, 1,3,4,5',6,6',7,12b-octahydro-1',3'-dimethyl-, (2S-trans)-; PDSP2_001636; PDSP1_001652; NSC_123679; CCG-204845; CAS_123679; NCGC00015699-02; NCGC00162243-01; NCGC00015699-03; LS-187521; LS-186865; L023963
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 339.4
  Logarithm of the Partition Coefficient (xlogp); 2.3
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C20H25N3O2
  IUPAC Name: (2S,12bS)-1',3'-dimethylspiro[1,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizine-2,4'-1,3-diazinane]-2'-one
  Canonical SMILES: CN1CC[C@]2(CCN3CCC4=C([C@@H]3C2)OC5=CC=CC=C45)N(C1=O)C
  InChI: InChI=1S/C20H25N3O2/c1-21-11-8-20(22(2)19(21)24)9-12-23-10-7-15-14-5-3-4-6-17(14)25-18(15)16(23)13-20/h3-6,16H,7-13H2,1-2H3/t16-,20+/m0/s1
  InChIKey: JRDUBBHIPPPSLP-OXJNMPFZSA-N
• Cross-matching ID:
  PubChem CID: 189711
  CAS Number: 111466-41-2
  TTD ID: D0Y4LU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-2C (ADRA2C)	TT2NUT5	ADA2C_HUMAN	Antagonist	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Adrenergic receptor alpha-2C (ADRA2C)	DTT	ADRA2C	1.76E-01	-0.06	-0.28

References

• [1] Silent alpha(2C)-adrenergic receptors enable cold-induced vasoconstriction in cutaneous arteries. Am J Physiol Heart Circ Physiol. 2000 Apr;278(4):H1075-83.