Details of the Drug

General Information of Drug (ID: DMZ40RQ)

• Drug Name: Propyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-amine
• Synonyms: CHEMBL80414; 2H-Indazol-5-amine, 4,5,6,7-tetrahydro-N-propyl-; Propyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-amine; SCHEMBL19048481; BDBM50017539

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); 179.26
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C10H17N3
  IUPAC Name: N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
  Canonical SMILES: CCCNC1CCC2=C(C1)C=NN2
  InChI: InChI=1S/C10H17N3/c1-2-5-11-9-3-4-10-8(6-9)7-12-13-10/h7,9,11H,2-6H2,1H3,(H,12,13)
  InChIKey: PYXYUOJSCYNCKM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 14539719
  TTD ID: D05ARI

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] Substituted 5-amino-4,5,6,7-tetrahydroindazoles as partial ergoline structures with dopaminergic activity. J Med Chem. 1989 Oct;32(10):2388-96.