7-Oxostaurosporine

AlkaPlorer ID: AK491829

Synonym: None

IUPAC Name: (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaene-16,18-dione

Structure

SMILES: CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)N1C3=CC=CC=C3C3=C4C(=O)N=C(O)C4=C4C5=CC=CC=C5N2C4=C31

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InChI: InChI=1S/C28H24N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,29H,12H2,1-3H3,(H,30,33,34)/t15-,18-,25-,28+/m1/s1

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InChIKey: POTTVLREWUNNRO-UGZRAAABSA-N

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Source

Properties Information

Molecule Weight: 480.5240000000003

TPSA: 90.00999999999999

MolLogP: 4.569000000000004

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A549 IC50 780.0 nM 10.1021/acs.jmedchem.0c01271
Homo sapiens ASPC1 IC50 1200.0 nM 10.1021/acs.jmedchem.0c01271
Homo sapiens BXPC-3 Activity 0.04 % 10.1021/acs.jmedchem.0c01271
Homo sapiens BXPC-3 Activity 0.59 % 10.1021/acs.jmedchem.0c01271
Homo sapiens BXPC-3 Activity 2.66 % 10.1021/acs.jmedchem.0c01271
Homo sapiens BXPC-3 Activity 6.89 % 10.1021/acs.jmedchem.0c01271
Homo sapiens BXPC-3 Activity 33.77 % 10.1021/acs.jmedchem.0c01271
Homo sapiens BXPC-3 Activity 46.07 % 10.1021/acs.jmedchem.0c01271
Homo sapiens BXPC-3 Activity 46.45 % 10.1021/acs.jmedchem.0c01271
Homo sapiens BXPC-3 Activity 63.54 % 10.1021/acs.jmedchem.0c01271
Homo sapiens BXPC-3 Activity nan None 10.1021/acs.jmedchem.0c01271
Homo sapiens BXPC-3 IC50 430.0 nM 10.1021/acs.jmedchem.0c01271
Homo sapiens BXPC-3 TGI 49.6 % 10.1021/acs.jmedchem.0c01271
Homo sapiens Inhibitor of nuclear factor kappa B kinase alpha subunit Inhibition nan % 10.1021/acs.jmedchem.0c01271
Homo sapiens Inhibitor of nuclear factor kappa B kinase beta subunit Inhibition nan % 10.1021/acs.jmedchem.0c01271
Homo sapiens MGC-803 IC50 1520.0 nM 10.1021/acs.jmedchem.0c01271
Homo sapiens NCI-H1299 IC50 2030.0 nM 10.1021/acs.jmedchem.0c01271
Homo sapiens NCI-H1975 IC50 2010.0 nM 10.1021/acs.jmedchem.0c01271
Homo sapiens NF-kappaB inhibitor alpha Inhibition nan % 10.1021/acs.jmedchem.0c01271
Homo sapiens Nuclear factor NF-kappa-B p65 subunit Inhibition nan % 10.1021/acs.jmedchem.0c01271
Homo sapiens PC-9 IC50 1880.0 nM 10.1021/acs.jmedchem.0c01271
Homo sapiens PKC alpha and beta-2 Inhibition nan % 10.1021/acs.jmedchem.0c01271
Homo sapiens Protein kinase C alpha Inhibition nan % 10.1021/acs.jmedchem.0c01271
Homo sapiens Protein kinase C beta Inhibition nan % 10.1021/acs.jmedchem.0c01271
Homo sapiens Protein kinase C delta IC50 21.0 nM 10.1021/acs.jmedchem.0c01271
Homo sapiens Protein kinase C delta Inhibition nan % 10.1021/acs.jmedchem.0c01271
Homo sapiens Protein kinase C iota Inhibition nan % 10.1021/acs.jmedchem.0c01271
Homo sapiens Protein kinase C iota type/zeta type Inhibition nan % 10.1021/acs.jmedchem.0c01271
Homo sapiens Protein kinase C theta IC50 6.0 nM 10.1021/acs.jmedchem.0c01271
Homo sapiens Protein kinase C theta IC50 17.0 nM 10.1021/acs.jmedchem.0c01271
Homo sapiens Protein kinase C theta Inhibition 50.0 % 10.1021/acs.jmedchem.0c01271
Homo sapiens Protein kinase C theta Inhibition nan % 10.1021/acs.jmedchem.0c01271
Homo sapiens Protein kinase C zeta Inhibition nan % 10.1021/acs.jmedchem.0c01271
Homo sapiens RKO IC50 1470.0 nM 10.1021/acs.jmedchem.0c01271
None ADMET Activity nan None 10.1021/acs.jmedchem.0c01271
None Unchecked Activity nan None 10.1021/acs.jmedchem.0c01271
None Unchecked TGI 56.9 % 10.1021/acs.jmedchem.0c01271

Metabolism Information