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Cribrostatin 5

AlkaPlorer ID: AK030268

Synonym: None

IUPAC Name: [(1R,10R,13S)-16,19-dihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,12,14-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-2,4(9),6,15(20),16,18-hexaen-10-yl]methyl (Z)-2-methylbut-2-enoate

Structure

SMILES: C/C=C(/C)C(=O)OC[C@H]1C2=C(C=C3[C@H]4C5=C(C(=O)[C@@H](C(=O)N31)N4C)C(O)=C(C)C(OC)=C5O)C(=O)C(C)=C(OC)C2=O

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InChI: InChI=1S/C30H30N2O10/c1-8-11(2)30(39)42-10-16-17-14(22(33)12(3)27(40-6)25(17)36)9-15-20-18-19(23(34)13(4)28(41-7)26(18)37)24(35)21(31(20)5)29(38)32(15)16/h8-9,16,20-21,34,37H,10H2,1-7H3/b11-8-/t16-,20-,21-/m0/s1

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InChIKey: MUHFGDIRAGVTBB-XFBWPGFXSA-N

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Reference

PubChem CID: 10745762

SuperNatural Ⅲ: SN0235521-03

NPASS: NPC185031

Source

Species Genus Family Order Class Phylum Kingdom Domain
None Cribrochalina Niphatidae Haplosclerida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 578.5740000000003

TPSA？: 159.98

MolLogP？: 1.93912

Number of H-Donors: 2

Number of H-Acceptors: 11

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis Bacillus subtilis MIC 12.5 ug 10.1016/j.ejmech.2020.113092
Bacillus subtilis Bacillus subtilis MIC 12.5 ug 10.1021/np990618q
Candida albicans Candida albicans Activity nan None 10.1021/np990618q
Cryptococcus neoformans Cryptococcus neoformans Activity nan None 10.1021/np990618q
Enterobacter cloacae Enterobacter cloacae Activity nan None 10.1021/np990618q
Enterococcus faecalis Enterococcus faecalis Activity nan None 10.1021/np990618q
Escherichia coli Escherichia coli Activity nan None 10.1021/np990618q
Homo sapiens 786-0 GI50 6165.95 nM 10.1021/np990618q
Homo sapiens A549 GI50 7090.0 nM 10.1021/np800022x
Homo sapiens A549 GI50 8709.64 nM 10.1021/np990618q
Homo sapiens A549 LC50 nan None 10.1021/np800022x
Homo sapiens A549 TGI 11600.0 nM 10.1021/np800022x
Homo sapiens ACHN GI50 7943.28 nM 10.1021/np990618q
Homo sapiens BXPC-3 GI50 5.6 ug.mL-1 10.1021/np990618q
Homo sapiens CCRF-CEM GI50 1698.24 nM 10.1021/np990618q
Homo sapiens COLO 205 GI50 8128.31 nM 10.1021/np990618q
Homo sapiens DU-145 GI50 10.0 ug.mL-1 10.1021/np990618q
Homo sapiens FaDu GI50 0.26 ug.mL-1 10.1021/np990618q
Homo sapiens HOP-62 GI50 7585.78 nM 10.1021/np990618q
Homo sapiens HOP-92 GI50 8128.31 nM 10.1021/np990618q
Homo sapiens Hs-578T GI50 8709.64 nM 10.1021/np990618q
Homo sapiens HT-29 GI50 6740.0 nM 10.1021/np800022x
Homo sapiens HT-29 LC50 nan None 10.1021/np800022x
Homo sapiens HT-29 TGI 7430.0 nM 10.1021/np800022x
Homo sapiens IGROV-1 GI50 8511.38 nM 10.1021/np990618q
Homo sapiens K562 GI50 4365.16 nM 10.1021/np990618q
Homo sapiens KM12 GI50 9120.11 nM 10.1021/np990618q
Homo sapiens KM-20L2 GI50 10.0 ug.mL-1 10.1021/np990618q
Homo sapiens LOX IMVI GI50 3311.31 nM 10.1021/np990618q
Homo sapiens Malme-3M GI50 389.05 nM 10.1021/np990618q
Homo sapiens Malme-3M GI50 390.0 nM 10.1016/j.ejmech.2020.113092
Homo sapiens MCF7 GI50 6760.83 nM 10.1021/np990618q
Homo sapiens MCF7 GI50 8128.31 nM 10.1021/np990618q
Homo sapiens MDA-MB-231 GI50 2691.53 nM 10.1021/np990618q
Homo sapiens MDA-MB-231 GI50 4490.0 nM 10.1021/np800022x
Homo sapiens MDA-MB-231 LC50 nan None 10.1021/np800022x
Homo sapiens MDA-MB-231 TGI nan None 10.1021/np800022x
Homo sapiens MDA-MB-435 GI50 1819.7 nM 10.1021/np990618q
Homo sapiens MDA-N GI50 2187.76 nM 10.1021/np990618q
Homo sapiens MOLT-4 GI50 1905.46 nM 10.1021/np990618q
Homo sapiens NCI-H226 GI50 7943.28 nM 10.1021/np990618q
Homo sapiens NCI-H460 GI50 10.0 ug.mL-1 10.1021/np990618q
Homo sapiens NCI-H460 GI50 7585.78 nM 10.1021/np990618q
Homo sapiens NCI-H522 GI50 4168.69 nM 10.1021/np990618q
Homo sapiens OVCAR-3 ED50 2.2 ug ml-1 10.1021/np990618q
Homo sapiens OVCAR-3 GI50 2.2 ug.mL-1 10.1021/np990618q
Homo sapiens OVCAR-4 GI50 1819.7 nM 10.1021/np990618q
Homo sapiens OVCAR-8 GI50 4265.8 nM 10.1021/np990618q
Homo sapiens PC-3 GI50 9120.11 nM 10.1021/np990618q
Homo sapiens RPMI-8226 GI50 6165.95 nM 10.1021/np990618q
Homo sapiens RXF 393 GI50 5248.07 nM 10.1021/np990618q
Homo sapiens SF-268 GI50 9549.93 nM 10.1021/np990618q
Homo sapiens SF-295 GI50 10.0 ug.mL-1 10.1021/np990618q
Homo sapiens SF-295 GI50 8912.51 nM 10.1021/np990618q
Homo sapiens SF-539 GI50 5754.4 nM 10.1021/np990618q
Homo sapiens SK-MEL-5 GI50 8128.31 nM 10.1021/np990618q
Homo sapiens SK-N-SH GI50 3.6 ug.mL-1 10.1021/np990618q
Homo sapiens SN12C GI50 7079.46 nM 10.1021/np990618q
Homo sapiens SNB-75 GI50 5623.41 nM 10.1021/np990618q
Homo sapiens SR GI50 3801.89 nM 10.1021/np990618q
Homo sapiens SW-1736 GI50 10.0 ug.mL-1 10.1021/np990618q
Homo sapiens SW-620 GI50 6918.31 nM 10.1021/np990618q
Homo sapiens T47D GI50 2089.3 nM 10.1021/np990618q
Homo sapiens U-251 GI50 6456.54 nM 10.1021/np990618q
Homo sapiens UACC-62 GI50 9772.37 nM 10.1021/np990618q
Micrococcus luteus Micrococcus luteus Activity nan None 10.1021/np990618q
Mus musculus P388 GI50 24.6 ug.mL-1 10.1021/np990618q
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 1.56 ug 10.1016/j.ejmech.2020.113092
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 1.56 ug 10.1021/np990618q
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 6.25 ug 10.1016/j.ejmech.2020.113092
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 6.25 ug 10.1021/np990618q
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1021/np990618q
Stenotrophomonas maltophilia Stenotrophomonas maltophilia Activity nan None 10.1021/np990618q
Streptococcus pneumoniae Streptococcus pneumoniae Activity nan None 10.1021/np990618q
Streptococcus pneumoniae Streptococcus pneumoniae MIC 6.25 ug 10.1016/j.ejmech.2020.113092
Streptococcus pneumoniae Streptococcus pneumoniae MIC 6.25 ug 10.1021/np990618q
Streptococcus pneumoniae Streptococcus pneumoniae MIC 50.0 ug 10.1016/j.ejmech.2020.113092
Streptococcus pneumoniae Streptococcus pneumoniae MIC 50.0 ug 10.1021/np990618q
Streptococcus sp. 'group A' Streptococcus sp. 'group A' MIC 12.5 ug 10.1021/np990618q
None NON-PROTEIN TARGET GI50 5370.32 nM 10.1021/np990618q

Metabolism Information