K-252a
AlkaPlorer ID: AK020979
Synonym: None
IUPAC Name: methyl (15S,16S,18R)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate
Structure
SMILES: COC(=O)[C@]1(O)C[C@H]2O[C@]1(C)N1C3=CC=CC=C3C3=C4CN=C(O)C4=C4C5=CC=CC=C5N2C4=C31
InChI: InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27-/m1/s1
InChIKey: KOZFSFOOLUUIGY-BLIZRMSTSA-N
Reference
K-252a, a potent inhibitor of protein kinase C from microbial origin.
PubChem CID: 9912410
LOTUS: LTS0078447
SuperNatural Ⅲ: SN0191517-02
{NPAtlas: NPA002183
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nocardiopsis sp. | Nocardiopsis | Nocardiopsaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 467.4810000000003
TPSA？: 98.21
MolLogP？: 4.229900000000003
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Myosin light chain kinase, smooth muscle | IC50 | 25.0 | nM | 10.1016/s0960-894x(02)00638-8 |
| Homo sapiens | Nerve growth factor receptor Trk-A | IC50 | 1.2 | nM | 10.1016/s0960-894x(02)00638-8 |
| Homo sapiens | Nerve growth factor receptor Trk-A | IC50 | 1.2 | nM | 10.1021/jm040178m |
| Homo sapiens | Nerve growth factor receptor Trk-A | IC50 | 5.0 | nM | 10.1021/jm040178m |
| Homo sapiens | Protein kinase C (PKC) | IC50 | 114.0 | nM | 10.1016/s0960-894x(02)00638-8 |
| Homo sapiens | Protein kinase C theta | IC50 | 1090.0 | nM | 10.1021/acs.jmedchem.0c01271 |
| Homo sapiens | Protein kinase C theta | Inhibition | 50.0 | % | 10.1021/acs.jmedchem.0c01271 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | IC50 | 19.0 | nM | 10.1016/s0960-894x(02)00638-8 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | IC50 | 19.0 | nM | 10.1021/jm040178m |
| None | Unchecked | IC50 | 114.0 | nM | 10.1021/jm040178m |
| None | Unchecked | Ratio | 95.0 | None | 10.1021/jm040178m |