Details of the Drug

General Information of Drug (ID: DMR97FU)

• Drug Name: 1-Benzo[b]thiophen-2-yl-cyclohexylamine
• Synonyms: Cyclohexanamine, 1-benzo[b]thien-2-yl-; CHEMBL18556; 143603-26-3; NSC708121; ACMC-20bbzv; 1-Benzo[b]thiophen-2-yl-cyclohexylamine; AC1L9GJR; SCHEMBL7095248; CTK0B4318; DTXSID80327969; HYVMNAZTYJDWIZ-UHFFFAOYSA-N; ZINC1657638; BDBM50040190; AKOS030613260; NSC-708121; 1-(1-Benzothien-2-yl)cyclohexanamine #; Thionaphthene, 2-[1-aminocyclohex-1-yl]-; 1-(1-benzothiophen-2-yl)cyclohexan-1-amine

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); 231.36
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C14H17NS
  IUPAC Name: 1-(1-benzothiophen-2-yl)cyclohexan-1-amine
  Canonical SMILES: C1CCC(CC1)(C2=CC3=CC=CC=C3S2)N
  InChI: InChI=1S/C14H17NS/c15-14(8-4-1-5-9-14)13-10-11-6-2-3-7-12(11)16-13/h2-3,6-7,10H,1,4-5,8-9,15H2
  InChIKey: HYVMNAZTYJDWIZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 398415
  ChEBI ID: CHEMBL18556
  CAS Number: 143603-26-3
  TTD ID: D02BXG
• 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
Dopamine transporter (DAT)	TTVBI8W	SC6A3_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
Dopamine transporter (DAT)	DTT	SLC6A3	1.08E-03	-3.08	-1.99

References

• [1] Synthesis and biological evaluation of 1-[1-(2-benzo[b]thienyl)cyclohexyl]piperidine homologues at dopamine-uptake and phencyclidine- and sigma-bin... J Med Chem. 1993 Apr 30;36(9):1188-93.