Details of the Drug

General Information of Drug (ID: DMT13EW)

Drug Name
AMINOBENZTROPINE
Synonyms
Aminobenztropine; CHEMBL330957; 88097-86-3; 3-(2'-Aminobenzhydryloxy)tropane; ABHT; Aminobenztropine, solid; Spectrum_000273; SpecPlus_000797; Spectrum5_001758; Spectrum4_001211; Spectrum3_000745; AC1L1D0L; AC1Q57ZN; Lopac0_000126; KBioGR_001642; BSPBio_002330; KBioSS_000753; MLS000859976; SPECTRUM2300334; DivK1c_006893; SCHEMBL1231000; 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy-phenylmethyl]aniline; KBio3_001550; KBio2_003321; KBio1_001837; KBio2_005889; KBio2_000753; CTK5F9344; CHEBI:125384; HMS3260I14; HMS3374M03; HMS2232P19
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 322.4
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C21H26N2O
IUPAC Name
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy-phenylmethyl]aniline
Canonical SMILES
CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4N
InChI
InChI=1S/C21H26N2O/c1-23-16-11-12-17(23)14-18(13-16)24-21(15-7-3-2-4-8-15)19-9-5-6-10-20(19)22/h2-10,16-18,21H,11-14,22H2,1H3
InChIKey
KZFDKINRISJFCO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2143
ChEBI ID
CHEMBL125384
CAS Number
88097-86-3
TTD ID
D03WGD
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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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]
Muscarinic acetylcholine receptor M1 (CHRM1) TTZ9SOR ACM1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Dopamine transporter (DAT) DTT SLC6A3 1.08E-03 -3.08 -1.99
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 3'-Chloro-3 alpha-(diphenylmethoxy)tropane but not 4'-chloro-3 alpha-(diphenylmethoxy)tropane produces a cocaine-like behavioral profile. J Med Chem. 1997 Mar 14;40(6):851-7.