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Details

Stereochemistry ACHIRAL
Molecular Formula C13H12N4O2
Molecular Weight 256.26
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-PHENYLTHEOPHYLLINE

SMILES

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

InChI

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)

HIDE SMILES / InChI

Molecular Formula C13H12N4O2
Molecular Weight 256.26
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
0.21 µM [IC50]
0.97 µM [Ki]
415.0 nM [Ki]
0.11 µM [Ki]
Substance Class Chemical
Record UNII
E6M543P3BL
Record Status Validated (UNII)
Record Version