Details of the Drug

General Information of Drug (ID: DMXHW91)

Drug Name
SDZ-SER-082
Synonyms SDZ SER-082; Biomol-NT_000136; GTPL195; CHEMBL316069; BPBio1_000024; SCHEMBL13073064; BDBM85099; ZINC16077; SER-082; CAS_141474-54-6; BRD-K31339597-051-01-2
Indication
Disease Entry ICD 11 Status REF
Neurological disorder 6B60 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 228.33
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H20N2
IUPAC Name
(2R,7S)-4-methyl-4,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),12(16),13-triene
Canonical SMILES
CN1CC[C@@H]2CN3CCC4=C3C(=CC=C4)[C@@H]2C1
InChI
InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1
InChIKey
YASBOGFWAMXINH-TZMCWYRMSA-N
Cross-matching ID
PubChem CID
9859407
CAS Number
141474-54-6
TTD ID
D0Z4QC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2C receptor (HTR2C) TTWJBZ5 5HT2C_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Neurological disorder
ICD Disease Classification 6B60
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 2C receptor (HTR2C) DTT HTR2C 1.02E-02 -0.45 -0.37
5-HT 2C receptor (HTR2C) DTT HTR2C 2.27E-01 0.27 0.6
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 195).
2 Effect of the activation of central 5-HT2C receptors by the 5-HT2C agonist mCPP on blood pressure and heart rate in rats. Brain Res. 2005 Apr 8;1040(1-2):64-72.