Details of the Drug

General Information of Drug (ID: DMPG1LJ)

• Drug Name: Bcecf-Am
• Synonyms: 117464-70-7; 2',7'-Bis(2-carboxyethyl)-5(6)-carboxyfluorescein acetoxymethyl ester; 2',7'-bis(2-Carboxyethyl)-5(6)-carboxyfluorescein acetoxymethyl ester Mixed isomers; AKOS015916474; BCECF-AM solution; BCECF-AM solution (5 mM in DMSO), 1 mg in 0.25 ml DMSO; BCECF-acetoxymethyl; FT-0622598; I14-51975; J-100048; MFCD00036969; SCHEMBL15570087; Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-2',7'-dipropanoic acid; ZINC169730836
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight; 880.761
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 27
  Hydrogen Bond Donor Count; 0
  Hydrogen Bond Acceptor Count; 21
• Chemical Identifiers:
  Formula: C42H40O21
  IUPAC Name: acetyloxymethyl 3',6'-bis(acetyloxymethoxy)-2',7'-bis[3-(acetyloxymethoxy)-3-oxopropyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylate
  Canonical SMILES: CC(=O)OCOC1=C(C=C2C(=C1)OC3=CC(=C(C=C3C24C5=C(C=C(C=C5)C(=O)OCOC(=O)C)C(=O)O4)CCC(=O)OCOC(=O)C)OCOC(=O)C)CCC(=O)OCOC(=O)C
  InChI: InChI=1S/C42H40O21/c1-22(43)52-17-57-34-15-36-32(13-27(34)7-10-38(48)59-19-54-24(3)45)42(31-9-6-29(12-30(31)41(51)63-42)40(50)61-21-56-26(5)47)33-14-28(8-11-39(49)60-20-55-25(4)46)35(16-37(33)62-36)58-18-53-23(2)44/h6,9,12-16H,7-8,10-11,17-21H2,1-5H3
  InChIKey: NTECHUXHORNEGZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 53229972
  CAS Number: 117464-70-7
  VARIDT ID: DR01304

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
P-glycoprotein 1 (ABCB1)	DTUGYRD	MDR1_HUMAN	Substrate	[1]

References

• [1] Mammalian drug efflux transporters of the ATP binding cassette (ABC) family in multidrug resistance: A review of the past decade. Cancer Lett. 2016 Jan 1;370(1):153-64.