General Information of Drug (ID: DMTAYMR)

Drug Name
Carboxydichlorofluorescein
Synonyms 5,6-carboxydichlorofluorescein
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0
Molecular Weight 445.204
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Chemical Identifiers
Formula
C21H10Cl2O7
IUPAC Name
7',8'-dichloro-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-carboxylic acid
Canonical SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)C(=O)O)OC5=CC(=C(C(=C35)Cl)Cl)O
InChI
InChI=1S/C21H10Cl2O7/c22-16-12(25)7-13-15(17(16)23)21(9-4-2-1-3-8(9)20(28)30-21)10-5-6-11(24)14(19(26)27)18(10)29-13/h1-7,24-25H,(H,26,27)
InChIKey
SQVCXKJBMHVPIO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
129670681
VARIDT ID
DR00365

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Multidrug resistance-associated protein 5 (ABCC5) DTYVM24 MRP5_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Kinetic validation of the use of carboxydichlorofluorescein as a drug surrogate for MRP5-mediated transport. Eur J Pharm Sci. 2006 Apr;27(5):524-32.