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Gallinamide A

AlkaPlorer ID: AK008576

Synonym: None

IUPAC Name: [(2S)-1-[[(2S)-1-[[(E,2S)-5-[(2S)-3-methoxy-2-methyl-5-oxo-2H-pyrrol-1-yl]-5-oxopent-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] (2S,3S)-2-(dimethylamino)-3-methylpentanoate

Structure

SMILES: CC[C@H](C)[C@@H](C(=O)O[C@@H](CC(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](C)/C=C/C(=O)N1C(=O)C=C(OC)[C@@H]1C)N(C)C

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InChI: InChI=1S/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/m0/s1

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InChIKey: ASRBKZHDORPEHO-KYJIWOQOSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None Schizothrix Schizotrichaceae Pseudanabaenales Cyanophyceae Cyanobacteriota None Bacteria

Properties Information

Molecule Weight: 592.7780000000001

TPSA？: 141.33

MolLogP？: 4.480600000000004

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Chlorocebus sabaeus Vero TC50 10.4 uM 10.1021/np8003529
Chlorocebus sabaeus Vero C1008 CC50 100000.0 nM 10.1021/acs.jmedchem.1c01494
Homo sapiens A-375 IC50 45600.0 nM 10.1016/j.ejmech.2018.06.046
Homo sapiens A549 IC50 40400.0 nM 10.1016/j.ejmech.2018.06.046
Homo sapiens Cathepsin B IC50 7.34 nM 10.1021/acs.jmedchem.1c01494
Homo sapiens Cathepsin B IC50 1700.0 nM 10.1021/np400727r
Homo sapiens Cathepsin B IC50 4200.0 nM 10.1021/np400727r
Homo sapiens Cathepsin B Inhibition nan % 10.1021/acs.jmedchem.1c01494
Homo sapiens Cathepsin B Ki 117.0 nM 10.1021/acs.jmedchem.1c01494
Homo sapiens Cathepsin B Kinact 6.27 10^-4/s 10.1021/acs.jmedchem.1c01494
Homo sapiens Cathepsin B Ratio 5.35 10^3/s/M 10.1021/acs.jmedchem.1c01494
Homo sapiens Cathepsin H IC50 30000.0 nM 10.1021/np400727r
Homo sapiens Cathepsin K IC50 7.96 10^-2microM 10.1021/acs.jmedchem.1c01494
Homo sapiens Cathepsin L Activity 5.0 % 10.1021/acs.jmedchem.9b00294
Homo sapiens Cathepsin L Activity nan None 10.1021/acs.jmedchem.1c01494
Homo sapiens Cathepsin L IC50 1.76 10^-5 uM 10.1021/acs.jmedchem.1c01494
Homo sapiens Cathepsin L IC50 4.67 nM 10.1021/acs.jmedchem.9b00294
Homo sapiens Cathepsin L IC50 5.0 nM 10.1021/acs.jmedchem.9b00294
Homo sapiens Cathepsin L IC50 5.0 nM 10.1021/np400727r
Homo sapiens Cathepsin L IC50 47.0 nM 10.1021/np400727r
Homo sapiens Cathepsin L Inhibition 12.0 % 10.1021/np400727r
Homo sapiens Cathepsin L Inhibition nan % 10.1021/acs.jmedchem.1c01494
Homo sapiens Cathepsin L Inhibition nan % 10.1021/acs.jmedchem.9b00294
Homo sapiens Cathepsin L Inhibition nan % 10.1021/np400727r
Homo sapiens Cathepsin L Ki 7.95 nM 10.1021/acs.jmedchem.1c01494
Homo sapiens Cathepsin L Ki 9000.0 /M/s 10.1021/np400727r
Homo sapiens Cathepsin L Kinact 4.75 10^-3/s 10.1021/acs.jmedchem.1c01494
Homo sapiens Cathepsin L Ratio 5.98 10^5/s/M 10.1021/acs.jmedchem.1c01494
Homo sapiens Cathepsin L Ratio 901.0 10'3/M/s 10.1021/acs.jmedchem.9b00294
Homo sapiens Cathepsin L2 IC50 6.97 10^-1microM 10.1021/acs.jmedchem.1c01494
Homo sapiens Cathepsin L2 IC50 140.0 nM 10.1021/np400727r
Homo sapiens Cathepsin L2 IC50 460.0 nM 10.1021/np400727r
Homo sapiens Cathepsin S IC50 3.67 10^-4microM 10.1021/acs.jmedchem.1c01494
Homo sapiens Furin Inhibition nan % 10.1021/acs.jmedchem.1c01494
Homo sapiens HeLa IC50 12000.0 nM 10.1016/j.ejmech.2018.06.046
Homo sapiens HT-29 IC50 53000.0 nM 10.1016/j.ejmech.2018.06.046
Homo sapiens MCF7 IC50 45500.0 nM 10.1016/j.ejmech.2018.06.046
Homo sapiens MDA-MB-231 IC50 34900.0 nM 10.1016/j.ejmech.2018.06.046
Homo sapiens NCI-H460 Activity nan None 10.1021/np8003529
Homo sapiens PANC-1 IC50 31200.0 nM 10.1016/j.ejmech.2018.06.046
Homo sapiens Transmembrane protease serine 2 Inhibition nan % 10.1021/acs.jmedchem.1c01494
Leishmania donovani Leishmania donovani IC50 9300.0 nM 10.1021/np8003529
Mus musculus 4T1 IC50 34600.0 nM 10.1016/j.ejmech.2018.06.046
Mus musculus B16-F10 IC50 59700.0 nM 10.1016/j.ejmech.2018.06.046
Mus musculus C2C12 LD50 0.6 uM 10.1021/acs.jmedchem.1c02063
Mus musculus C2C12 LD50 10.0 uM 10.1021/acs.jmedchem.9b00294
Mus musculus Cathepsin L1 Ki 5.29 nM 10.1021/acs.jmedchem.1c01494
Mus musculus Cathepsin L1 Kinact 5.69 10^-3/s 10.1021/acs.jmedchem.1c01494
Mus musculus Cathepsin L1 Ratio 1.07 10^6/s/M 10.1021/acs.jmedchem.1c01494
Plasmodium falciparum Falcipain 2 IC50 8.5 nM 10.1021/jm501439w
Plasmodium falciparum Plasmodium falciparum IC50 50.0 nM 10.1021/jm501439w
Plasmodium falciparum Plasmodium falciparum IC50 8400.0 nM 10.1021/np8003529
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition nan % 10.1021/acs.jmedchem.1c01494
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Activity nan None 10.1021/acs.jmedchem.1c01494
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 EC50 2.8 10^-2microM 10.1021/acs.jmedchem.1c01494
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC90 88.0 nM 10.1021/acs.jmedchem.1c01494
Trypanosoma cruzi Cruzipain IC50 0.26 nM 10.1021/acs.jmedchem.9b00294
Trypanosoma cruzi Cruzipain IC50 1.3 nM 10.1021/acs.jmedchem.1c02063
Trypanosoma cruzi Trypanosoma cruzi IC50 16900.0 nM 10.1021/np8003529
Trypanosoma cruzi Trypanosoma cruzi LD50 14.7 nM 10.1021/acs.jmedchem.9b00294
None NON-PROTEIN TARGET Activity nan None 10.1021/np8003529
None Unchecked IC50 22.0 nM 10.1021/jm501439w
None Unchecked IC50 140.0 nM 10.1021/jm501439w
None Unchecked Ratio IC50 10.0 None 10.1021/np400727r
None Unchecked Ratio IC50 28.0 None 10.1021/np400727r
None Unchecked Ratio IC50 91.0 None 10.1021/np400727r
None Unchecked Ratio IC50 320.0 None 10.1021/np400727r

Metabolism Information