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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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

Repurposed Drugs (RPD)

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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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.