Details of the Drug

General Information of Drug (ID: DM2NQUY)

• Drug Name: Indocyanine green
• Synonyms: indocyanine green; Cardiogreen; 3599-32-4; AC1L2DMU; GTPL4844; KS-00000YFZ; MOLI001001; F9995-0163; sodium 4-(2-((1E,3E,5E,7E)-7-(1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-2(3H)-ylidene)hepta-1,3,5-trienyl)-1,1-dimethyl-1H-benzo[e]indolium-3-yl)butane-1-sulfonate; sodium 4-[2-[(1E,3E,5E,7Z)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-1-sulfonate; sodium 4-[2-[7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4

Indication

Disease Entry	ICD 11	Status	REF
Gastrointestinal disease	DE2Z	Approved	[1]

• ATC Code:
  V04CX01: Indocyanine green
  V04CX: Other diagnostic agents
  V04C: OTHER DIAGNOSTIC AGENTS
  V04: DIAGNOSTIC AGENTS
  V: VARIOUS
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight; 775
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 12
  Hydrogen Bond Donor Count; 0
  Hydrogen Bond Acceptor Count; 7
• ADMET Property:
  BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 3: high solubility and low permeability [2]
  Clearance: The drug present in the plasma can be removed from the body at the rate of 6.8 mL/min/kg [3]
  Half-life: The concentration or amount of drug in body reduced by one-half in 150 - 180 seconds [3]
  Unbound Fraction: The unbound fraction of drug in plasma is 0.05% [3]
  Vd: Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 0.035 L/kg [3]
• Chemical Identifiers:
  Formula: C43H47N2NaO6S2
  IUPAC Name: sodium;4-[(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate
  Canonical SMILES: CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])/C=C/C=C/C=C/C=C/4\\C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C.[Na+]
  InChI: InChI=1S/C43H48N2O6S2.Na/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51;/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51);/q;+1/p-1
  InChIKey: MOFVSTNWEDAEEK-UHFFFAOYSA-M
• Cross-matching ID:
  PubChem CID: 11967809
  CAS Number: 3599-32-4
  DrugBank ID: DB16024
  TTD ID: D00KRT
  VARIDT ID: DR00485
  ACDINA ID: D01158

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Organic anion transporting polypeptide 1B3 (SLCO1B3)	DT9C1TS	SO1B3_HUMAN	Substrate	[4]

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Sodium iodide	E00078	5238	Antimicrobial preservative
Water	E00035	962	Solvent

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Indocyanine Green 25mg lyophilized powder	25mg	Lyophilized Powder	Intravenous
Indocyanine Green 25mg powder	25mg	Powder	Intravenous

Jump to Detail Pharmaceutical Formulation Page 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: 4844).
• [2] BDDCS predictions, self-correcting aspects of BDDCS assignments, BDDCS assignment corrections, and classification for more than 175 additional drugs
• [3] Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
• [4] Primovist, Eovist: what to expect? J Hepatol. 2012 Aug;57(2):421-9.