8-PHENYLTHEOPHYLLINE

CN1C2=C(N=C(N2)C3=CC=CC=C3)C(=O)N(C)C1=O

InChIKey=PJFMAVHETLRJHJ-UHFFFAOYSA-N

InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)

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

Targets

Primary Target	Pharmacology	Potency
Adenosine A1 receptor 50 Target ID: CHEMBL226 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11170626	Antagonist 2778	0.21 µM [IC50]
Adenosine A2a receptor 30 Target ID: CHEMBL251 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11170626 \| https://www.ncbi.nlm.nih.gov/pubmed/8410976	Antagonist 2778	0.97 µM [Ki]
Adenosine A2b receptor 22 Target ID: CHEMBL255 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14761205	Antagonist 2778	415.0 nM [Ki]
Cytochrome P450 1A2 72 Target ID: P05177 Gene ID: 1544.0 Gene Symbol: CYP1A2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/11465391	Inhibitor 8297	0.11 µM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:24:40 UTC 2023` Edited by `admin` on `Sat Dec 16 10:24:40 UTC 2023`
Record UNII	E6M543P3BL
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

8-PHENYLTHEOPHYLLINE

Systematic Name

English

3,9-DIHYDRO-1,3-DIMETHYL-8-PHENYL-1H-PURINE-2,6-DIONE

Systematic Name

English

1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-1,3-DIMETHYL-8-PHENYL-

Systematic Name

English

1,3-DIMETHYL-8-PHENYLXANTHINE

Systematic Name

English

3,7-DIHYDRO-1,3-DIMETHYL-8-PHENYL-1H-PURINE-2,6-DIONE

Systematic Name

English

NSC-14127

Code

English

8-PHENYL-1,3-DIMETHYLXANTHINE

Systematic Name

English

8-PT

Common Name

English

Code System Code Type Description

FDA UNII

E6M543P3BL