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Ligand

Namedoxorubicin
Molecular formulaC27H29NO11
IUPAC name(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Molecular weight543.525
Hydrogen bond acceptor12
Hydrogen bond donor6
XlogP1.3
SynonymsAdriamycin
23214-92-8
Doxil
Adriablastin
Doxorubicine
[ Show all ]
Inchi KeyAOJJSUZBOXZQNB-TZSSRYMLSA-N
Inchi IDInChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
PubChem CID31703
ChEMBLCHEMBL53463
IUPHARN/A
BindingDB22984
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
102875-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
102885-hydroxytryptamine receptor 4O70528HTR4Cavia porcellus (Guinea pig)388
10286Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
10289P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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