Details of the Drug

General Information of Drug (ID: DMPFWP3)

Drug Name

phalloidin

Synonyms

PHALLOIDIN; 17466-45-4; 28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone; HSDB 3524; EINECS 241-484-5; NSC 523214; BRN 4347460; AC1L1IVH; AC1Q6LQW; SCHEMBL39329; GTPL4736; DTXSID3037254; CTK5B8261; 63-24-1; NSC523214; NSC-523214; SMP1_000234; Phalloidin from Amanita phalloides, >=90%; LS-102544; J-011024

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

Chemical Identifiers

Formula: C35H48N8O11S
Canonical SMILES: CC1C(=O)NC2CC3=C(NC4=CC=CC=C34)SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(CO)O)C)C(C)O
InChI: 1S/C35H48N8O11S/c1-15-27(47)38-22-10-20-19-7-5-6-8-21(19)41-33(20)55-13-24(34(53)43-12-18(46)9-25(43)31(51)37-15)40-32(52)26(17(3)45)42-28(48)16(2)36-30(50)23(39-29(22)49)11-35(4,54)14-44/h5-8,15-18,22-26,41,44-46,54H,9-14H2,1-4H3,(H,36,50)(H,37,51)(H,38,47)(H,39,49)(H,40,52)(H,42,48)
InChIKey: KPKZJLCSROULON-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4752
CAS Number: 17466-45-4
TTD ID: D0I9YJ

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: 4736).