Details of the Drug

General Information of Drug (ID: DMTE14H)

Drug Name
DOV-216303
Synonyms
66504-40-3; CHEMBL528995; 3-Azabicyclo[3.1.0]hexane, 1-(3,4-dichlorophenyl)-; SCHEMBL79279; SCHEMBL9604846; CTK1J4675; MolPort-035-942-269; BSMNRYCSBFHEMQ-UHFFFAOYSA-N; DOV-2947; BDBM50243895; AKOS025396236; FCH1601649; SB10890; KB-50426; AS-51627; AK173863; CS-0052898; KS-00000461
Indication
Disease Entry ICD 11 Status REF
Mood disorder 6A60-6E23 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 228.11
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C11H11Cl2N
IUPAC Name
1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane
Canonical SMILES
C1C2C1(CNC2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
InChIKey
BSMNRYCSBFHEMQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9795276
TTD ID
D0H9GQ

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]
Norepinephrine transporter (NET) TTAWNKZ SC6A2_HUMAN Inhibitor [1]
Serotonin transporter (SERT) TT3ROYC SC6A4_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 Mood disorder
ICD Disease Classification 6A60-6E23
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine transporter (DAT) DTT SLC6A3 1.08E-03 -3.08 -1.99
Serotonin transporter (SERT) DTT SLC6A4 8.76E-01 7.18E-05 6.19E-04
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Novel drugs and therapeutic targets for severe mood disorders. Neuropsychopharmacology. 2008 Aug;33(9):2080-92.