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Granulatimide

AlkaPlorer ID: AK001263

Synonym: 1H-Imidazo[4,5-a]pyrrolo[3,4-c]carbazole-4,6(5H,11H)-dione 

IUPAC Name: 3,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione

Structure

SMILES: O=C1N=C(O)C2=C3C4=CC=CC=C4NC3=C3NC=NC3=C12

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InChI: InChI=1S/C15H8N4O2/c20-14-9-8-6-3-1-2-4-7(6)18-12(8)13-11(16-5-17-13)10(9)15(21)19-14/h1-5,18H,(H,16,17)(H,19,20,21)

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InChIKey: LBTREMHIJGMYQN-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Didemnum granulatum Didemnum Didemnidae Aplousobranchia Ascidiacea Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 276.25500000000005

TPSA？: 94.12999999999998

MolLogP？: 2.6558

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A549 IC50 11400.0 nM 10.1016/j.bmc.2007.05.073
Homo sapiens A549 IC50 18000.0 nM 10.1016/j.ejmech.2012.06.012
Homo sapiens Cyclin-dependent kinase 4/cyclin D1 IC50 740.0 nM 10.1016/s0960-894x(03)00791-1
Homo sapiens DU-145 IC50 2800.0 nM 10.1016/j.bmc.2007.05.073
Homo sapiens HCT-116 Activity 19.4 % 10.1016/j.ejmech.2012.06.012
Homo sapiens HCT-116 Activity_index 19.4 None 10.1016/j.bmcl.2021.128009
Homo sapiens HCT-116 IC50 6100.0 nM 10.1016/j.bmc.2008.02.061
Homo sapiens HCT-116 IC50 6100.0 nM 10.1021/jm070664k
Homo sapiens HT-29 IC50 5700.0 nM 10.1016/j.bmc.2007.05.073
Homo sapiens HT-29 IC50 5700.0 nM 10.1016/j.bmc.2008.02.061
Homo sapiens HT-29 IC50 5700.0 nM 10.1016/j.ejmech.2007.03.026
Homo sapiens HT-29 IC50 5700.0 nM 10.1021/jm070664k
Homo sapiens LoVo IC50 3000.0 nM 10.1016/j.ejmech.2012.06.012
Homo sapiens MCF7 IC50 1000.0 nM 10.1021/np0304316
Homo sapiens MCF7 IC50 46000.0 nM 10.1016/j.ejmech.2012.06.012
Homo sapiens PC-3 IC50 11000.0 nM 10.1016/j.ejmech.2012.06.012
Homo sapiens Serine/threonine-protein kinase Chk1 IC50 80.0 nM 10.1016/j.bmc.2007.05.073
Homo sapiens Serine/threonine-protein kinase Chk1 IC50 80.0 nM 10.1016/j.ejmech.2007.03.026
Homo sapiens Serine/threonine-protein kinase Chk1 IC50 81.0 nM 10.1016/j.bmc.2008.02.061
Homo sapiens Serine/threonine-protein kinase Chk1 IC50 81.0 nM 10.1021/jm070664k
Homo sapiens Serine/threonine-protein kinase Chk1 IC50 250.0 nM 10.1016/j.bmc.2014.06.028
Homo sapiens Serine/threonine-protein kinase Chk1 Inhibition 93.9 % 10.1016/j.bmc.2007.05.073
Homo sapiens Serine/threonine-protein kinase Chk1 Inhibition 93.9 % 10.1016/j.bmc.2008.02.061
Homo sapiens Serine/threonine-protein kinase Chk1 Inhibition 93.9 % 10.1016/j.ejmech.2007.03.026
Homo sapiens Serine/threonine-protein kinase Chk1 Inhibition 93.9 % 10.1021/jm070664k
Homo sapiens Tyrosine-protein kinase SRC IC50 350.0 nM 10.1021/jm070664k
Homo sapiens Tyrosine-protein kinase SRC Inhibition 58.0 % 10.1021/jm070664k
Mus musculus B16-F10 IC50 5000.0 nM 10.1016/j.ejmech.2012.06.012
Mus musculus L1210 IC50 2800.0 nM 10.1016/j.bmc.2007.05.073
Mus musculus L1210 IC50 2800.0 nM 10.1016/j.bmc.2008.02.061
Mus musculus L1210 IC50 2800.0 nM 10.1016/j.ejmech.2007.03.026
Mus musculus L1210 IC50 2800.0 nM 10.1021/jm070664k
None NON-PROTEIN TARGET IC50 6000.0 nM 10.1016/j.ejmech.2012.06.012
None NON-PROTEIN TARGET IC50 6100.0 nM 10.1016/j.ejmech.2007.03.026
None NON-PROTEIN TARGET IC50 23000.0 nM 10.1016/j.ejmech.2012.06.012
None NON-PROTEIN TARGET IC50 nan None 10.1016/j.ejmech.2012.06.012

Metabolism Information