Chemical Component Summary

NameK-252A
Identifiersn/a
FormulaC27 H21 N3 O5
Molecular Weight467.473
TypeNON-POLYMER
Isomeric SMILESC[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)OC)O
InChIInChI=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
InChIKeyKOZFSFOOLUUIGY-SOLYNIJKSA-N

Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count3
Bond Count63
Aromatic Bond Count24

Drug Info: DrugBank

DrugBank IDDB02152 
NameK-252a
Groups experimental
SynonymsK-252a
Categories
  • Alkaloids
  • Enzyme Inhibitors
  • Heterocyclic Compounds, Fused-Ring
  • Indoles
  • Indolizidines
CAS number97161-97-2

Drug Targets

NameTarget SequencePharmacological ActionActions
Dual specificity mitogen-activated protein kinase kinase 1MPKKKPTPIQLNPAPDGSAVNGTSSAETNLEALQKKLEELELDEQQRKRL...unknown
Hepatocyte growth factor receptorMKAPAVLAPGILVLLFTLVQRSNGECKEALAKSEMNVNMKYQLPNFTAET...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL281948
PubChem 3035817
ChEMBL CHEMBL281948
ChEBI CHEBI:43616
CCDC/CSD FADFUL