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Sesquibastadin I

AlkaPlorer ID: AK313455

Synonym: None

IUPAC Name: None

Structure

SMILES: O/N=C(\CC1=CC(Br)=C(O)C(OC2=CC=C(CCN=C(O)/C(CC3=CC(Br)=C(O)C(C4=CC(C/C(=N\O)C(O)=NCCC5=CC=C(O)C(Br)=C5)=CC(Br)=C4O)=C3)=N/O)C=C2Br)=C1)C(O)=NCCC1=CC=C(O)C(Br)=C1

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InChI: InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,64-68,72-74H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)/b61-39+,62-40+,63-41+

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InChIKey: VRWFLNVDDMVVDA-OFMCOEKFSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Ianthella basta Ianthella Ianthellidae Verongiida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 1412.3670000000002

TPSA？: 305.92

MolLogP？: 12.964599999999985

Number of H-Donors: 11

Number of H-Acceptors: 15

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Cyclin-dependent kinase 2/cyclin A IC50 6500.0 nM 10.1021/np300764u
Homo sapiens Cyclin-dependent kinase 4/cyclin D1 IC50 1400.0 nM 10.1021/np300764u
Homo sapiens Ephrin type-B receptor 4 IC50 3400.0 nM 10.1021/np300764u
Homo sapiens Epidermal growth factor receptor erbB1 IC50 600.0 nM 10.1021/np300764u
Homo sapiens Focal adhesion kinase 1 IC50 3500.0 nM 10.1021/np300764u
Homo sapiens Hepatocyte growth factor receptor IC50 800.0 nM 10.1021/np300764u
Homo sapiens Insulin-like growth factor I receptor IC50 1000.0 nM 10.1021/np300764u
Homo sapiens Insulin receptor IC50 1400.0 nM 10.1021/np300764u
Homo sapiens Mitogen-activated protein kinase kinase kinase 8 IC50 1300.0 nM 10.1021/np300764u
Homo sapiens NUAK family SNF1-like kinase 1 IC50 1700.0 nM 10.1021/np300764u
Homo sapiens Platelet-derived growth factor receptor beta IC50 4000.0 nM 10.1021/np300764u
Homo sapiens Receptor protein-tyrosine kinase erbB-2 IC50 2100.0 nM 10.1021/np300764u
Homo sapiens Serine/threonine-protein kinase Aurora-A IC50 2600.0 nM 10.1021/np300764u
Homo sapiens Serine/threonine-protein kinase Aurora-B IC50 2300.0 nM 10.1021/np300764u
Homo sapiens Serine/threonine-protein kinase B-raf IC50 1700.0 nM 10.1021/np300764u
Homo sapiens Serine/threonine-protein kinase PLK1 IC50 6400.0 nM 10.1021/np300764u
Homo sapiens Serine/threonine-protein kinase PLK4 IC50 700.0 nM 10.1021/np300764u
Homo sapiens Tyrosine-protein kinase receptor FLT3 IC50 1400.0 nM 10.1021/np300764u
Homo sapiens Tyrosine-protein kinase SRC IC50 700.0 nM 10.1021/np300764u
Homo sapiens Tyrosine-protein kinase TIE-2 IC50 600.0 nM 10.1021/np300764u
Homo sapiens Vascular endothelial growth factor receptor 2 IC50 600.0 nM 10.1021/np300764u
Homo sapiens Vascular endothelial growth factor receptor 3 IC50 1600.0 nM 10.1021/np300764u
Mus musculus L5178Y Inhibition nan % 10.1021/np300764u

Metabolism Information