Details of the Drug

General Information of Drug (ID: DMKZ32J)

Drug Name
Cis-2-phenylcyclopropylamine
Synonyms
cis-2-phenylcyclopropylamine; Tranylcypromine, cis-; CHEMBL467794; 13531-35-6; cis-Cypromine; CIS-1-AMINO-2-PHENYLCYCLOPROPANE; DL-cis-2-Phenylcyclopropylamine; Cyclopropanamine, 2-phenyl-, cis-; (+/-)-cis-2-Phenylcyclopropylamine; AC1ODZ9B; Tranylcypromine related compound A free base; Cyclopropanamine, 2-phenyl-, (1R,2R)-rel-; cis-2-Phenylcyclopropanamine; SCHEMBL1720497; CTK0F4162; DTXSID80159308; (-) cis-2-phenylcyclopropylamine; AELCINSCMGFISI-RKDXNWHRSA-N; (1R,2R)-2-Phenylcyclopropanamine; ZINC1639567; BDBM50261814
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) 133.19
Logarithm of the Partition Coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C9H11N
IUPAC Name
(1R,2R)-2-phenylcyclopropan-1-amine
Canonical SMILES
C1[C@@H]([C@@H]1N)C2=CC=CC=C2
InChI
InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9-/m1/s1
InChIKey
AELCINSCMGFISI-RKDXNWHRSA-N
Cross-matching ID
PubChem CID
6971118
ChEBI ID
CHEMBL467794
CAS Number
13531-35-6
TTD ID
D0X8RN
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Monoamine oxidase type A (MAO-A) TT3WG5C AOFA_HUMAN Inhibitor [1]
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_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
Monoamine oxidase type B (MAO-B) DTT MAOB 2.65E-02 1.12E-02 0.07
Monoamine oxidase type A (MAO-A) DTT MAOA 8.14E-01 0.05 0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Fluorinated phenylcyclopropylamines. Part 5: Effects of electron-withdrawing or -donating aryl substituents on the inhibition of monoamine oxidases... Bioorg Med Chem. 2008 Aug 1;16(15):7148-66.