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Drug Details

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Name:irinotecan hydrochloride
PubChem ID:60838
Pathway:Show KEGG pathways
InChI:InChI=1/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1
SMILES:CCc1c2cc(ccc2nc2c1Cn1c2cc2c(COC([C@]2(CC)O)=O)c1=O)OC(N1CCC(CC1)N1CCCCC1)=O

Properties:
Formula:C33H38N4O6Atoms:43
Molecular Weight:586.678Rotatable Bonds:6
H-bond Acceptors:8H-bond Donors:0
logP:3.9669
Targets:
NameUniprot IDSourceReferencesInteraction
AcetylcholinesteraseACES_HUMANBindingDB-shows
AcetylcholinesteraseACES_TORCABindingDB-shows
ATP-binding cassette sub-family G member 2ABCG2_HUMANSuperTargetPMID 015801936shows
Breast cancer resistance proteinQ8WZ76_HUMANSuperTargetPMID 015801936shows
Carboxylesterase 2EST2_HUMANSuperTargetPMID 010987276shows
Carboxylesterase 2 isoform 1 variantQ53H57_HUMANSuperTargetPMID 010987276shows
CES2 proteinQ4G0E9_HUMANSuperTargetPMID 010987276shows
CES2 proteinQ6IPK9_HUMANSuperTargetPMID 010987276shows
Cytochrome P-450Q96RK6_HUMANSuperTargetPMID 012570720shows
Cytochrome P450Q7Z446_HUMANSuperTargetPMID 012570720shows
Cytochrome P450Q7Z447_HUMANSuperTargetPMID 012570720shows
Cytochrome P450Q7Z448_HUMANSuperTargetPMID 016278402shows
Cytochrome P450Q86SK2_HUMANSuperTargetPMID 016278402shows
Cytochrome P450Q86SK3_HUMANSuperTargetPMID 016278402shows
Cytochrome P450 2B6CP2B6_HUMANSuperCyp-shows
Cytochrome P450 3A4CP3A4_HUMANSuperTargetPMID 016278402shows
Cytochrome P450 3A5CP3A5_HUMANSuperTargetPMID 012570720shows
Cytochrome P450 3A7CP3A7_HUMANSuperCyp-shows
Cytochrome P450 CYP3A4Q9BZM0_HUMANSuperTargetPMID 016278402shows
Cytochrome P450 family 3 subfamily A polypeptide 4Q6GRK0_HUMANSuperTargetPMID 016278402shows
Cytochrome P450, family 3, subfamily A, polypeptide 5 variantQ53GC3_HUMANSuperTargetPMID 012570720shows
DNA topoisomerase 1TOP1_HUMANSuperTargetPMID 015041737shows
DNA topoisomerase I, mitochondrialTOP1M_HUMANDrugBank-shows
Multidrug resistance protein 1MDR1_HUMANSuperTargetPMID 012914384shows
Multidrug resistance protein 1 variantQ59GY9_HUMANSuperTargetPMID 012914384shows
P-glycoproteinO60213_HUMANSuperTargetPMID 012914384shows
P-glycoprotein 1Q6TBL4_HUMANSuperTargetPMID 012914384shows
Putative uncharacterized proteinQ86SK1_HUMANSuperTargetPMID 012570720shows
Putative uncharacterized proteinQ9BVT2_HUMANSuperTargetPMID 015041737shows
Putative uncharacterized protein ABCG2Q4W5I3_HUMANSuperTargetPMID 015801936shows
Putative uncharacterized protein DKFZp686I18188Q7Z3N0_HUMANSuperTargetPMID 012570720shows
TOP1 proteinQ6NWZ5_HUMANSuperTargetPMID 015041737shows
TOP1 proteinQ6PK95_HUMANSuperTargetPMID 015041737shows
Synonyms:
()-irinotecan
(+)-Irinotecan
(1,4'-Bipiperidine)-1'-carboxylic acid,
(1,4'-Bipiperidine)-1'-carboxylic acid, 4,11-diethyl-3,4,12-14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester, (S)-
(4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE
(4S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-4,12-dihydro-1H-pyrano[3,4-f]quinolino[2,3-a]indolizin-9-yl 4-piperidylpiperidinecarboxylate
1u65
97682-44-5
AIDS-108177
AIDS108177
BSPBio_002346
C16641
C33H38N4O6
Camptosar
Camptosar, Campto, CPT-11, Irinotecan
CP0
CPT-11
DB00762
Irinotecan
Irinotecan Hcl
irinotecan hydrochloride
Irinotecan [INN:BAN]
IRINOTECAN, CPT-11
Irinotecanum [INN-Latin]
LS-44589
NCI60_005051
NSC728073
STOCK1N-71175
TL8006026
ATC-Codes: