Details of the Drug

General Information of Drug (ID: DM0Y2SC)

Drug Name

[3H]strychnine

Synonyms

Strychnine; strychnine; 57-24-9; (-)-Strychnine; Strychnidin-10-one; Strychnin; UNII-H9Y79VD43J; Sanaseed; CHEBI:28973; Estricnina; Strychinos; Strychnos; Gopher-gitter; Gopher bait; Mouse-nots; Mole death; Boomer-rid; Mouse-rid; H9Y79VD43J; Mouse-tox; Kwik-kil; Hare-Rid; Dolco mouse cereal; Strychnin [German]; Stricnina [Italian]; Pied piper mouse seed; Caswell No 805; Strychnine [BSI:ISO]; RCRA waste number P108; (-)-Strychnine, 98%; HSDB 2001; NSC 5365; EINECS 200-319-7; UN1692; EPA Pesticide Chemical Code 076901; STRYCHNINE

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)

334.4

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C21H22N2O2
IUPAC Name: (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Canonical SMILES: C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75
InChI: InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
InChIKey: QMGVPVSNSZLJIA-FVWCLLPLSA-N

Cross-matching ID

PubChem CID: 441071
ChEBI ID: CHEMBL227934
CAS Number: 57-24-9
UNII: H9Y79VD43J
DrugBank ID: DB15954
TTD ID: D0H0BD

Drug-Molecule Activity Atlas (DMA)^NEW

Click to Jump to the Detailed DMA Information of This Drug

Drug Pharmacogenomic Perturbation (DPP)^NEW

Click to Jump to the Detailed DPP Information of This Drug

Drug ADMET Endpoint Profile (DAE)^NEW

Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycine receptor (GlyR)	TTZ8EM9	GLRA1_HUMAN ; GLRA2_HUMAN ; GLRA3_HUMAN ; GLRA4_HUMAN ; GLRB_HUMAN	Antagonist	[2]
Strychnine-binding glycine receptor (GLRA1)	TTF45NW	GLRA1_HUMAN	Inhibitor	[3]

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction 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: 2360).
2	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. (Target id: 425).
3	3-demethoxy-3-glycosylaminothiocolchicines: Synthesis of a new class of putative muscle relaxant compounds. J Med Chem. 2006 Sep 7;49(18):5571-7.