537
2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE
Created: | 2003-06-16 |
Last modified: | 2011-06-04 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 25 |
Chiral Atom Count | 0 |
Bond Count | 28 |
Aromatic Bond Count | 17 |
Chemical Component Summary | |
---|---|
Name | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE |
Systematic Name (OpenEye OEToolkits) | n/a |
Formula | C14 H8 N2 O |
Molecular Weight | 220.226 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C4c1cccc2c1c(nn2)c3ccccc34 |
SMILES | CACTVS | 3.341 | O=C1c2ccccc2c3n[nH]c4cccc1c34 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)-c3c4c(cccc4[nH]n3)C2=O |
Canonical SMILES | CACTVS | 3.341 | O=C1c2ccccc2c3n[nH]c4cccc1c34 |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)-c3c4c(cccc4[nH]n3)C2=O |
InChI | InChI | 1.03 | InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16) |
InChIKey | InChI | 1.03 | ACPOUJIDANTYHO-UHFFFAOYSA-N |
Drug Info: DrugBank
DrugBank ID | DB01782 |
---|---|
Name | Pyrazolanthrone |
Groups | experimental |
Synonyms |
|
CAS number | 129-56-6 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
---|---|---|---|
C-Jun-amino-terminal kinase-interacting protein 1 | MAERESGGLGGGAASPPAASPFLGLHIASPPNFRLTHDISLEEFEDEDLS... | unknown | |
Mitogen-activated protein kinase 8 | MSRSKRDNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILER... | unknown | |
Dual specificity protein kinase TTK | MESEDLSGRELTIDSIMNKVRDIKNKFKNEDLTDELSLNKISADTTDNSG... | unknown | |
Mitogen-activated protein kinase 10 | MSLHFLYYCSEPTLDVKIAFCQGFDKQVDVSYIAKHYNMSKSKVDNQFYS... | 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 Name | Reference |
---|---|
Pharos | CHEMBL7064, CHEMBL1725279 |
PubChem | 8515 |
ChEMBL | CHEMBL7064, CHEMBL1725279 |
ChEBI | CHEBI:90695 |