Details of the Drug

General Information of Drug (ID: DMR3P98)

Drug Name
ORG 34517/34850
Synonyms
Sardomozide; 4-Aiah; SAM 486A; Cgp 48664; UNII-CEB05S0B9I; SAM486A; 149400-88-4; CEB05S0B9I; 4-amidinoindan-1-one 2'-amidinohydrazone; (E)-2-(4-carbamimidoyl-2,3-dihydro-1H-inden-1-ylidene)hydrazinecarboximidamide; Urea azine with 1-oxo-4-indancarboxamidine; Sardomozide chloride; Hydrazinecarboximidamide, 2-(4-(aminoiminomethyl)-2,3-dihydro-1H-inden-1-ylidene)-; 4-AMIDINOINDAN-1-ONE-2'-AMIDINOHYDRAZONE; 1443105-76-7; C11H14N6; Cgp 48664A; CHEMBL1202793; Sardomozide [INN]
Indication
Disease Entry ICD 11 Status REF
Mood disorder 6A60-6E23 Phase 2 [1]
Solid tumour/cancer 2A00-2F9Z Phase 2 [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 230.27
Logarithm of the Partition Coefficient (xlogp) -0.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H14N6
IUPAC Name
(1E)-1-(diaminomethylidenehydrazinylidene)-2,3-dihydroindene-4-carboximidamide
Canonical SMILES
C1C/C(=N\\N=C(N)N)/C2=C1C(=CC=C2)C(=N)N
InChI
InChI=1S/C11H14N6/c12-10(13)8-3-1-2-7-6(8)4-5-9(7)16-17-11(14)15/h1-3H,4-5H2,(H3,12,13)(H4,14,15,17)/b16-9+
InChIKey
CYPGNVSXMAUSJY-CXUHLZMHSA-N
Cross-matching ID
PubChem CID
9576789
CAS Number
149400-88-4
TTD ID
D0E2WF
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glucocorticoid receptor (NR3C1) TTYRL6O GCR_HUMAN Antagonist [1]
S-adenosylmethionine decarboxylase proenzyme (AMD1) TTBFROQ DCAM_HUMAN Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Novel drugs and therapeutic targets for severe mood disorders. Neuropsychopharmacology. 2008 Aug;33(9):2080-92.
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. (Ligand id: 5268).
3 A phase I study of a new polyamine biosynthesis inhibitor, SAM486A, in cancer patients with solid tumours. Br J Cancer. 2000 Sep;83(5):594-601.