Details of the Drug

General Information of Drug (ID: DM7EKAF)

• Drug Name: Dimethylthiambutene
• Synonyms: Dimethylthiambutene; Dimethibutin; Ohton; Dimetiltiambuteno; Aminobutene; Dimethylthiambutenum; Kobaton; N,N,1-Trimethyl-3,3-di-2-thienylallylamine; 3-Dimethylamino-1,1-bis(2-thienyl)-1-butene; 524-84-5; 3-Dimethylamino-1,1-di-(2'-thienyl)-1-butene; Dimetiltiambutene [DCIT]; N,N,1-Trimethyl-3,3-di(2-thienyl)-2-propenylamine; Dimetiltiambuteno [INN-Spanish]; Dimethylthiambutenum [INN-Latin]; Dimethylthiambutene [INN:BAN:DCF]; 338C48; Allylamine, N,N,1-trimethyl-3,3-di-2-thienyl-; BRN 0084891; DEA No. 9619; CHEBI:59781; NIH4542

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); 263.4
  Logarithm of the Partition Coefficient (xlogp); 4.1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H17NS2
  IUPAC Name: N,N-dimethyl-4,4-dithiophen-2-ylbut-3-en-2-amine
  Canonical SMILES: CC(C=C(C1=CC=CS1)C2=CC=CS2)N(C)C
  InChI: InChI=1S/C14H17NS2/c1-11(15(2)3)10-12(13-6-4-8-16-13)14-7-5-9-17-14/h4-11H,1-3H3
  InChIKey: CANBGVXYBPOLRR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10668
  ChEBI ID: CHEBI:59781
  CAS Number: 524-84-5
  DrugBank ID: DB01444
  TTD ID: D04EZN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Opioid receptor delta (OPRD1)	TT27RFC	OPRD_HUMAN	Agonist	[1]
Opioid receptor mu (MOP)	TTKWM86	OPRM_HUMAN	Agonist	[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
Opioid receptor mu (MOP)	DTT	OPRM1	5.94E-01	-0.02	-0.17
Opioid receptor delta (OPRD1)	DTT	OPRD1	5.52E-01	0.03	0.23

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.