Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D02WRU
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| Former ID |
DIB020716
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| Drug Name |
PHTPP
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| Synonyms |
805239-56-9; 4-[2-PHENYL-5,7-BIS(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]PHENOL; 4-(2-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol; CHEMBL191066; GTPL3461; SCHEMBL15556029; Pyrazolo[1,5-a]pyrimidine, 2a; CTK8F1047; BDBM19452; CHEBI:93344; DTXSID10458573; AOB5403; MolPort-023-276-532; HMS3269L05; PHTPP, > BCP29119; ZINC13584996; AKOS024457227; NCGC00167819-01; HY-103456; RT-015048; B7144; CS-0027927; BRD-K76568384-001-01-4
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C20H11F6N3O
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| Canonical SMILES |
C1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2C4=CC=C(C=C4)O)C(F)(F)F)C(F)(F)F
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| InChI |
1S/C20H11F6N3O/c21-19(22,23)14-10-15(20(24,25)26)29-18(27-14)16(11-6-8-13(30)9-7-11)17(28-29)12-4-2-1-3-5-12/h1-10,30H
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| InChIKey |
AEZPAUSGTAHLOQ-UHFFFAOYSA-N
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| CAS Number |
CAS 805239-56-9
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:93344
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Estrogen receptor beta (ESR2) | Target Info | Antagonist | [2] |
| KEGG Pathway | Estrogen signaling pathway | |||
| Prolactin signaling pathway | ||||
| Pathway Interaction Database | Plasma membrane estrogen receptor signaling | |||
| Validated nuclear estrogen receptor beta network | ||||
| Validated nuclear estrogen receptor alpha network | ||||
| Reactome | Nuclear Receptor transcription pathway | |||
| WikiPathways | SIDS Susceptibility Pathways | |||
| Ovarian Infertility Genes | ||||
| Integrated Pancreatic Cancer Pathway | ||||
| Nuclear Receptors | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3461). | |||
| REF 2 | Structure-guided optimization of estrogen receptor binding affinity and antagonist potency of pyrazolopyrimidines with basic side chains. J Med Chem. 2007 Jan 25;50(2):399-403. | |||
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