Details of the Drug

General Information of Drug (ID: DM4FJHO)

• Drug Name: (5-Methoxy-chroman-3-yl)-dipropyl-amine
• Synonyms: 5-Meo-dpac; 5-Methoxy-3-(di-n-propylamino)chroman; CHEMBL283606; 3-Dipropylamino-5-methyloxychroman; 5-Methoxy-3-(dipropylamino)chroman; (5-Methoxy-chroman-3-yl)-dipropyl-amine; AC1MIZ4R; 110927-00-9; SCHEMBL2217080; CTK8G5655; GOWYIQOIWRLZLO-UHFFFAOYSA-N; BDBM50036862; 3-(Di-n-propylamino)-5-methoxychroman; L023817; 5-methoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine; 5-methoxy-3,4-dihydro-N,N-dipropyl-2H-[1]-benzopyran-3-amine; 2H-1-Benzopyran-3-amine, 3,4-dihydro-5-methoxy-N,N-dipropyl-

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); 263.37
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H25NO2
  IUPAC Name: 5-methoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
  Canonical SMILES: CCCN(CCC)C1CC2=C(C=CC=C2OC)OC1
  InChI: InChI=1S/C16H25NO2/c1-4-9-17(10-5-2)13-11-14-15(18-3)7-6-8-16(14)19-12-13/h6-8,13H,4-5,9-12H2,1-3H3
  InChIKey: GOWYIQOIWRLZLO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3082597
  CAS Number: 110927-00-9
  TTD ID: D0L8NG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine D2 receptor (D2R)	TTEX248	DRD2_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 D2 receptor (D2R)	DTT	DRD2	2.50E-02	-0.08	-0.49

References

• [1] 3-amino-3,4-dihydro-2H-1-benzopyran derivatives as 5-HT1A receptor ligands and potential anxiolytic agents. 2. Synthesis and quantitative structure... J Med Chem. 1996 Oct 11;39(21):4285-98.