Details of the Drug

General Information of Drug (ID: DMTAYMR)

Drug Name

Carboxydichlorofluorescein

Synonyms

5,6-carboxydichlorofluorescein

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

445.204

Topological Polar Surface Area

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

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]

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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.
2	The human multidrug resistance protein MRP5 transports folates and can mediate cellular resistance against antifolates. Cancer Res. 2005 May 15;65(10):4425-30.
3	ATP-binding cassette C transporters in human pancreatic carcinoma cell lines. Upregulation in 5-fluorouracil-resistant cells. Pancreatology. 2009;9(1-2):136-44.
4	Celecoxib upregulates multidrug resistance proteins in colon cancer: lack of synergy with standard chemotherapy. Curr Cancer Drug Targets. 2008 Aug;8(5):414-20.
5	Overexpression of MRP4 (ABCC4) and MRP5 (ABCC5) confer resistance to the nucleoside analogs cytarabine and troxacitabine, but not gemcitabine. Springerplus. 2014 Dec 13;3:732.
6	Cellular export of drugs and signaling molecules by the ATP-binding cassette transporters MRP4 (ABCC4) and MRP5 (ABCC5). Drug Metab Rev. 2005;37(1):253-78.
7	Interdependence of gemcitabine treatment, transporter expression, and resistance in human pancreatic carcinoma cells. Neoplasia. 2010 Sep;12(9):740-7.
8	Hyaluronan export by the ABC transporter MRP5 and its modulation by intracellular cGMP. J Biol Chem. 2007 Jul 20;282(29):20999-1004.
9	Role of MRP4 and MRP5 in biology and chemotherapy. AAPS PharmSci. 2002;4(3):E14.