Details of the Drug

General Information of Drug (ID: DMW51AX)

• Drug Name: Anisodamine
• Synonyms: anisodamine; racanisodamine; 55869-99-3; (6S)-6-Hydroxyhyoscyamine; (-)-Anisodamine; AC1O6SQS; AC1L4C7W; SCHEMBL620576; ZINC2112569; 8053AH; API0000388; 869A993; Q-100648; [(1S,3S,5S,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate; (S)-((1S,3S,5S,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate; [(1R,3S,5R,6R)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate

Indication

Disease Entry	ICD 11	Status	REF
Central and peripheral nervous disease	8A04-8E7Z	Approved	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 305.4
  Topological Polar Surface Area (xlogp); 0.9
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C17H23NO4
  IUPAC Name: [(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
  Canonical SMILES: CN1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3
  InChI: InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13-,14+,15+,16-/m0/s1
  InChIKey: WTQYWNWRJNXDEG-RBZJEDDUSA-N
• Cross-matching ID:
  PubChem CID: 6918612
  CAS Number: 55869-99-3
  DrugBank ID: DB11785
  TTD ID: D06VFO
  INTEDE ID: DR0119

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor beta-1 (ADRB1)	TTR6W5O	ADRB1_HUMAN	Modulator	[2]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2D6 (CYP2D6) Main DME	DECB0K3	CP2D6_HUMAN	Substrate	[3]

References

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