Showing entry for Hydroxycamptothecin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0019460
Compound NameHydroxycamptothecin
Structure
FormulaC20H16N2O5
InchiKeyHAWSQZCWOQZXHI-FQEVSTJZSA-N
SMILESCC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4cc3Cn1c2=O)O
InchiInChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1
IUPAC
Molecular Weight364.11
Pubchem Id97226
Chembl IdCHEMBL273862
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB 50008922
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT007696 DNA topoisomerase 1 reviewed Enzyme TOP1 - 110 - -
CHEMBL CHEMBL273862
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 7079 nM
P97697 BXGT012214 Inositol monophosphatase 1 reviewed - Impa1 Potency '=' 10000 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' -5 %
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 35481 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 12589 nM
P29466 BXGT009349 Caspase-1 reviewed Enzyme CASP1 Potency '=' 15848 nM
P55210 BXGT011110 Caspase-7 reviewed Enzyme CASP7 Potency '=' 15848 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 58 nM
P11387 BXGT007696 DNA topoisomerase 1 reviewed Enzyme TOP1 IC50 '=' 110 nM
P02768 BXGT005955 Serum albumin reviewed Transporter ALB K '=' 260 1/Maa
P02768 BXGT005955 Serum albumin reviewed Transporter ALB Activity '=' 1 -
P68871 BXGT011615 Hemoglobin subunit beta reviewed - HBB Potency '=' 12589 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 50 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 35481 nM
P02768 BXGT005955 Serum albumin reviewed Transporter ALB K '=' 130 1/Maa
P11387 BXGT007696 DNA topoisomerase 1 reviewed Enzyme TOP1 Inhibition - - -
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 22387 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 22387 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 1584 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 6 %
Q2HPH0 BXGT014088 Topoisomerase I unreviewed - Inhibition - - -
P11387 BXGT007696 DNA topoisomerase 1 reviewed Enzyme TOP1 CC50 '=' 1000 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 20 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01422 Camptotheca acuminata Camptotheca acuminata Medicinal Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease