041
2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL
Find entries where: 041
is present as a standalone ligand in 3 entries
Chemical Component Summary | |
|---|---|
| Name | 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL |
| Identifiers | 7-ethenyl-2-(3-fluoro-4-hydroxy-phenyl)-1,3-benzoxazol-5-ol |
| Formula | C15 H10 F N O3 |
| Molecular Weight | 271.243 |
| Type | NON-POLYMER |
| Isomeric SMILES | C=Cc1cc(cc2c1oc(n2)c3ccc(c(c3)F)O)O |
| InChI | InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2 |
| InChIKey | MQIMZDXIAHJKQP-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 30 |
| Chiral Atom Count | 0 |
| Bond Count | 32 |
| Aromatic Bond Count | 17 |
Drug Info: DrugBank
| DrugBank ID | DB06832? |
|---|---|
| Name | Prinaberel |
| Groups | investigational |
| Description | Prinaberel is an estrogen receptor beta agonist. |
| Synonyms | Prinaberel |
| Categories | Receptors, Estrogen, agonists |
| CAS number | 524684-52-4 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Estrogen receptor beta | MDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYS... | unknown | |
| Nuclear receptor coactivator 1 | MSGLGDSSSDPANPDSHKRKGSPCDTLASSTEKRRREQENKYLEELAELL... | 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 | CHEMBL450940 |
| PubChem | 656954 |
| ChEMBL | CHEMBL450940 |
