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Ageladine A

AlkaPlorer ID: AK056489

Synonym: None

IUPAC Name: 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine

Structure

SMILES: N=C1NC2=CC=NC(C3=CC(Br)=C(Br)N3)=C2N1

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InChI: InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)

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InChIKey: QAKGJAQGTQLMFN-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Agelas nakamurai Agelas Agelasidae Agelasida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 357.009

TPSA？: 84.10999999999999

MolLogP？: 2.8905700000000003

Number of H-Donors: 4

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Cyclin-dependent kinase 5/CDK5 activator 1 Inhibition nan % 10.1021/jm200039m
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 1A Activity 5.0 % 10.1021/jm200039m
Homo sapiens Matrix metalloproteinase-1 IC50 2.0 ug.mL-1 10.1021/jm200039m
Homo sapiens Matrix metalloproteinase 12 IC50 0.33 ug.mL-1 10.1021/jm200039m
Homo sapiens Matrix metalloproteinase 12 IC50 3660.0 nM 10.1016/j.bmc.2015.07.045
Homo sapiens Matrix metalloproteinase 12 IC50 3660.0 nM 10.1016/j.bmcl.2007.06.005
Homo sapiens Matrix metalloproteinase 12 IC50 3660.0 nM 10.1016/j.bmcl.2009.07.099
Homo sapiens Matrix metalloproteinase 13 IC50 0.47 ug.mL-1 10.1021/jm200039m
Homo sapiens Matrix metalloproteinase 14 IC50 0.2 ug.mL-1 10.1021/jm200039m
Homo sapiens Matrix metalloproteinase-2 IC50 1.2 ug.mL-1 10.1021/jm200039m
Homo sapiens Matrix metalloproteinase-2 IC50 1.7 ug.mL-1 10.1021/jm200039m
Homo sapiens Matrix metalloproteinase-2 IC50 1700.0 nM 10.1016/j.bmcl.2009.11.036
Homo sapiens Matrix metalloproteinase 8 IC50 0.39 ug.mL-1 10.1021/jm200039m
Homo sapiens Matrix metalloproteinase 9 IC50 0.79 ug.mL-1 10.1021/jm200039m
Homo sapiens Serine/threonine-protein kinase PIM1 IC50 10000.0 nM 10.1021/jm200039m
Homo sapiens SPS1/STE20-related protein kinase YSK4 Activity 5.0 % 10.1021/jm200039m
Homo sapiens Tyrosine-protein kinase TYK2 Activity 5.0 % 10.1021/jm200039m
Rattus norvegicus Aorta IC50 24.0 ug.mL-1 10.1021/jm200039m
Rattus norvegicus Aorta Inhibition 9.0 % 10.1021/jm200039m
Rattus norvegicus Aorta Inhibition 10.0 % 10.1021/jm200039m
Rattus norvegicus Aorta Inhibition 19.0 % 10.1021/jm200039m
Rattus norvegicus Aorta Inhibition 100.0 % 10.1021/jm200039m
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A IC50 30000.0 nM 10.1021/jm200039m
Sus scrofa Casein kinase I isoform alpha IC50 50000.0 nM 10.1021/jm200039m
None NON-PROTEIN TARGET GI nan None 10.1021/jm200039m
None Unchecked Activity 5.0 % 10.1021/jm200039m
None Unchecked Inhibition nan % 10.1021/jm200039m

Metabolism Information