Details of the Drug

General Information of Drug (ID: DMM5SI1)

• Drug Name: DAU-6202
• Synonyms: 131780-83-1

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 331.4
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C17H21N3O4
  IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-hydroxy-2-oxo-1,4-dihydroquinazoline-3-carboxylate
  Canonical SMILES: CN1C2CCC1CC(C2)OC(=O)N3C(C4=CC=CC=C4NC3=O)O
  InChI: InChI=1S/C17H21N3O4/c1-19-10-6-7-11(19)9-12(8-10)24-17(23)20-15(21)13-4-2-3-5-14(13)18-16(20)22/h2-5,10-12,15,21H,6-9H2,1H3,(H,18,22)
  InChIKey: DCNXOLLXJNMTQB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9905592
  TTD ID: D0Q6BG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor M1 (CHRM1)	TTZ9SOR	ACM1_HUMAN	Modulator	[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
Muscarinic acetylcholine receptor M1 (CHRM1)	DTT	CHRM1	5.59E-01	0.19	0.41

References

• [1] Characterization of muscarinic receptors in guinea-pig uterus. Eur J Pharmacol. 1993 Dec 7;250(2):223-30.