General Information of Drug (ID: DMALN2M)

Drug Name
Cholyl lysyl fluorescein
Chemical Identifiers
Formula
C51H63N3O11S
IUPAC Name
5-[[(5S)-5-carboxy-5-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pentyl]carbamothioylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
Canonical SMILES
CC(CCC(=O)NC(CCCCNC(=S)NC1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O)C(=O)O)C5CCC6C5(C(CC7C6C(CC8C7(CCC(C8)O)C)O)O)C
InChI
InChI=1S/C51H63N3O11S/c1-26(36-14-15-37-46-38(25-43(59)51(36,37)3)50(2)18-17-31(57)20-27(50)21-40(46)58)7-16-44(60)54-39(48(63)64)6-4-5-19-52-49(66)53-28-8-11-32(35(22-28)47(61)62)45-33-12-9-29(55)23-41(33)65-42-24-30(56)10-13-34(42)45/h8-13,22-24,26-27,31,36-40,43,46,55,57-59H,4-7,14-21,25H2,1-3H3,(H,54,60)(H,61,62)(H,63,64)(H2,52,53,66)/t26-,27+,31-,36-,37+,38+,39+,40-,43+,46+,50+,51-/m1/s1
InChIKey
ZUJFMZPBQQCXQR-TZCNZRNCSA-N
Cross-matching ID
PubChem CID
44470395
VARIDT ID
DR01616

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Multidrug resistance-associated protein 3 (ABCC3) DTQ3ZHF MRP3_HUMAN Substrate [1]
Organic anion transporting polypeptide 1B1 (SLCO1B1) DT3D8F0 SO1B1_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The emerging role of transport systems in liver function tests. Eur J Pharmacol. 2012 Jan 30;675(1-3):1-5.
2 Organic anion transporting polypeptide 1B1: a genetically polymorphic transporter of major importance for hepatic drug uptake. Pharmacol Rev. 2011 Mar;63(1):157-81.