4,4',4''-(4-PROPYL-(1H)-PYRAZOLE-1,3,5-TRIYL)TRISPHENOL

CCCC1=C(N(N=C1C2=CC=C(O)C=C2)C3=CC=C(O)C=C3)C4=CC=C(O)C=C4

InChIKey=IOTXSIGGFRQYKW-UHFFFAOYSA-N

InChI=1S/C24H22N2O3/c1-2-3-22-23(16-4-10-19(27)11-5-16)25-26(18-8-14-21(29)15-9-18)24(22)17-6-12-20(28)13-7-17/h4-15,27-29H,2-3H2,1H3

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Targets

Primary Target	Pharmacology	Condition	Potency
Estrogen receptor alpha 127 Target ID: CHEMBL206 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12399409 \| https://www.ncbi.nlm.nih.gov/pubmed/11150164 \| https://www.ncbi.nlm.nih.gov/pubmed/11014206	Agonist 2678		200.0 pM [EC50]

PubMed

Title	Date	PubMed
Pyrazole ligands: structure-affinity/activity relationships and estrogen receptor-alpha-selective agonists.	2000 Dec 28	11150164
Conformational changes and coactivator recruitment by novel ligands for estrogen receptor-alpha and estrogen receptor-beta: correlations with biological character and distinct differences among SRC coactivator family members.	2000 Oct	11014206
Characterization of the biological roles of the estrogen receptors, ERalpha and ERbeta, in estrogen target tissues in vivo through the use of an ERalpha-selective ligand.	2002 Nov	12399409

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:45:44 GMT 2023` Edited by `admin` on `Sat Dec 16 08:45:44 GMT 2023`
Record UNII	0T83Y6JZPF
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

4,4',4''-(4-PROPYL-(1H)-PYRAZOLE-1,3,5-TRIYL)TRISPHENOL

Systematic Name

English

PPT

Common Name

English

PHENOL, 4,4',4''-(4-PROPYL-1H-PYRAZOLE-1,3,5-TRIYL)TRIS-

Systematic Name

English

PROPYL PYRAZOLE TRIOL

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID9040392