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name Structure Reference Source Properties Activities Metabolism

Tridolgosir

AlkaPlorer ID: AK002831

Synonym: None

IUPAC Name: (1S,2R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol

Structure

SMILES: O[C@H]1[C@H]2[C@H](O)CCCN2C[C@H]1O

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InChI: InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1

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InChIKey: FXUAIOOAOAVCGD-WCTZXXKLSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 173.212

TPSA？: 63.93000000000001

MolLogP？: -1.4529

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacteroides thetaiotaomicron GH92 alpha-mannosidase Ki 5000.0 nM 10.1038/nchembio.278
Bacteroides thetaiotaomicron GH92 alpha-mannosidase Ki 14000.0 nM 10.1038/nchembio.278
Drosophila melanogaster Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform B IC50 5.0 nM 10.1016/j.ejmech.2011.01.012
Drosophila melanogaster Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform B Ki 3.0 nM 10.1016/j.ejmech.2011.01.012
Electrophorus electricus Acetylcholinesterase Inhibition 5.09 % 10.1016/j.bmc.2012.09.040
Equus caballus Cholinesterase Inhibition -2.04 % 10.1016/j.bmc.2012.09.040
Glycine max Alpha-mannosidase IC50 400.0 nM 10.1021/jm0409019
Homo sapiens 786-0 GI50 100000.0 nM None
Homo sapiens A498 GI50 100000.0 nM None
Homo sapiens A549 GI50 100000.0 nM None
Homo sapiens ACHN GI50 100000.0 nM None
Homo sapiens CAKI-1 GI50 100000.0 nM None
Homo sapiens CCRF-CEM GI50 85310.01 nM None
Homo sapiens COLO 205 GI50 100000.0 nM None
Homo sapiens DLD-1 GI50 100000.0 nM None
Homo sapiens DMS-114 GI50 100000.0 nM None
Homo sapiens DMS-273 GI50 100000.0 nM None
Homo sapiens EKVX GI50 100000.0 nM None
Homo sapiens HCC 2998 GI50 100000.0 nM None
Homo sapiens HCT-116 GI50 100000.0 nM None
Homo sapiens HCT-15 GI50 100000.0 nM None
Homo sapiens Histone deacetylase 6 Inhibition -10.91 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -3.14 % 10.6019/CHEMBL4808148
Homo sapiens HL-60 GI50 100000.0 nM None
Homo sapiens HOP-18 GI50 100000.0 nM None
Homo sapiens HOP-62 GI50 100000.0 nM None
Homo sapiens HOP-92 GI50 100000.0 nM None
Homo sapiens HT-29 GI50 100000.0 nM None
Homo sapiens IGROV-1 GI50 100000.0 nM None
Homo sapiens J-RT3-T3-5 Activity nan None 10.1074/jbc.m706923200
Homo sapiens Jurkat Activity nan None 10.1074/jbc.m706923200
Homo sapiens KM12 GI50 100000.0 nM None
Homo sapiens KM-20L2 GI50 100000.0 nM None
Homo sapiens Linker for activation of T-cells family member 1 Activity nan None 10.1074/jbc.m706923200
Homo sapiens LOX IMVI GI50 100000.0 nM None
Homo sapiens LXFL 529 GI50 100000.0 nM None
Homo sapiens Lysosomal alpha-mannosidase IC50 10.0 nM 10.1016/j.bmc.2008.06.021
Homo sapiens Lysosomal alpha-mannosidase IC50 50.0 nM 10.1016/j.bmc.2008.06.021
Homo sapiens Lysosomal alpha-mannosidase IC50 20000.0 nM 10.1016/j.bmc.2008.06.021
Homo sapiens M14 GI50 100000.0 nM None
Homo sapiens M19-MEL GI50 100000.0 nM None
Homo sapiens Malme-3M GI50 100000.0 nM None
Homo sapiens MOLT-4 GI50 100000.0 nM None
Homo sapiens NCI-H226 GI50 100000.0 nM None
Homo sapiens NCI-H23 GI50 100000.0 nM None
Homo sapiens NCI-H322M GI50 100000.0 nM None
Homo sapiens NCI-H460 GI50 100000.0 nM None
Homo sapiens NCI-H522 GI50 100000.0 nM None
Homo sapiens OVCAR-3 GI50 100000.0 nM None
Homo sapiens OVCAR-4 GI50 100000.0 nM None
Homo sapiens OVCAR-5 GI50 100000.0 nM None
Homo sapiens OVCAR-8 GI50 100000.0 nM None
Homo sapiens RPMI-8226 GI50 100000.0 nM None
Homo sapiens RXF 393 GI50 100000.0 nM None
Homo sapiens RXF 631 GI50 100000.0 nM None
Homo sapiens SF-268 GI50 100000.0 nM None
Homo sapiens SF-295 GI50 100000.0 nM None
Homo sapiens SF-539 GI50 100000.0 nM None
Homo sapiens SK-MEL-2 GI50 100000.0 nM None
Homo sapiens SK-MEL-28 GI50 100000.0 nM None
Homo sapiens SK-MEL-5 GI50 100000.0 nM None
Homo sapiens SK-OV-3 GI50 100000.0 nM None
Homo sapiens SN12C GI50 100000.0 nM None
Homo sapiens SNB-19 GI50 100000.0 nM None
Homo sapiens SNB-75 GI50 100000.0 nM None
Homo sapiens SNB-78 GI50 100000.0 nM None
Homo sapiens SW-620 GI50 100000.0 nM None
Homo sapiens TK-10 GI50 100000.0 nM None
Homo sapiens Tyrosine-protein kinase LCK Activity nan None 10.1074/jbc.m706923200
Homo sapiens Tyrosine-protein kinase ZAP-70 Activity nan None 10.1074/jbc.m706923200
Homo sapiens U-251 GI50 100000.0 nM None
Homo sapiens UACC-257 GI50 100000.0 nM None
Homo sapiens UACC-62 GI50 100000.0 nM None
Homo sapiens UO-31 GI50 100000.0 nM None
Homo sapiens XF498 GI50 100000.0 nM None
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase IC50 200.0 ug.mL-1 10.1021/np50073a012
Plasmodium falciparum Plasmodium falciparum Potency 9528.3 nM None
Rattus norvegicus Alpha-mannosidase 2C1 IC50 1750.0 nM 10.1021/jm00129a011
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 13.48 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -4.47 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.05 % 10.6019/CHEMBL4495565
None NON-PROTEIN TARGET Hepatotoxicity (acute) 10.5 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (animal toxicity known) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (benign tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (granulomatous hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (mechanism) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 2.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 52.6 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (time to onset) nan None 10.1016/s0399-8320(04)95062-2
None No relevant target Activity nan None 10.1074/jbc.m706923200
None T-cell Activity nan None 10.1074/jbc.m706923200
None Unchecked Activity nan None 10.1021/np50098a020
None Unchecked Activity nan None 10.1074/jbc.m706923200
None Unchecked Hepatotoxicity (acute) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (choleostasis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (chronic liver disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cirrhosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (comment) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cytolytic) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (steatosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (successful reintroduction) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked IC50 11.0 nM 10.1016/j.ejmech.2011.01.012
None Unchecked IC50 40.0 nM 10.1016/j.bmc.2008.06.021
None Unchecked IC50 100.0 nM 10.1016/j.bmc.2011.09.046
None Unchecked Inhibition 50.0 % 10.1021/np50120a009
None Unchecked Ki 20.0 nM 10.1016/j.bmc.2008.06.021
None Unchecked Ki 155.0 nM 10.1016/j.bmc.2008.06.021
None Unchecked Potency 25118.9 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT023540 O=C1CCN2CCCC[C@@H]12>>O[C@@H]1[C@H](O)CN2CCC[C@@H](O)[C@H]12 R08416