Details of the Drug

General Information of Drug (ID: DM6Y9P7)

Drug Name

R-954

Synonyms

Painful diabetic neuropathy therapy, Genesis Biopharma; R-715; R-892; Bradykinin antagonists, Universities of Ferrara/Sherbrooke; Painful diabetic neuropathy therapy, Genesis Biopharma/ SciMeDent

Indication

Disease Entry	ICD 11	Status	REF
Diabetic complication	5A2Y	Investigative	[1]

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C61H87N13O12
Canonical SMILES: CCC(C)C(C(=O)O)NC(=O)C(CC1=CC2=CC=CC=C2C=C1)NC(=O)C(CO)NC(=O)C(C)(CC3=CC=CC=C3)NC(=O)CNC(=O)C4CCCN4C(=O)C5CC6CCCCC6N5C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN)NC(=O)C
InChI: InChI=1S/C61H87N13O12/c1-5-36(2)51(58(84)85)71-53(79)45(31-39-25-26-40-18-9-10-19-41(40)30-39)69-54(80)46(35-75)70-59(86)61(4,33-38-16-7-6-8-17-38)72-50(77)34-66-55(81)48-24-15-29-73(48)57(83)49-32-42-20-11-12-23-47(42)74(49)56(82)44(22-14-28-65-60(63)64)68-52(78)43(21-13-27-62)67-37(3)76/h6-10,16-19,25-26,30,36,42-49,51,75H,5,11-15,20-24,27-29,31-35,62H2,1-4H3,(H,66,81)(H,67,76)(H,68,78)(H,69,80)(H,70,86)(H,71,79)(H,72,77)(H,84,85)(H4,63,64,65)/t36-,42-,43-,44-,45+,46-,47-,48-,49-,51-,61-/m0/s1
InChIKey: JDPPVMXSBUBLMX-IRXBPQMASA-N

Cross-matching ID

PubChem CID: 101865250
TTD ID: D09ZVJ

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: 661).