Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0KM1H
|
|||
| Former ID |
DNC000816
|
|||
| Drug Name |
Iso-caffeine
|
|||
| Synonyms |
Isocaffeine; 1,3,9-Trimethylxanthine; 519-32-4; 1,3,9-trimethylpurine-2,6-dione; 1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione; CHEMBL74063; MLS002639222; Caffeine Impurity C (Isocaffeine); 2,6-Dihydroxy-1,3,9-trimethylpurine; 1,3,9-Trimethyl-3,9-dihydro-purine-2,6-dione; W-202958; isocaffeine(8ci); Isocoffein; EINECS 208-267-7; NSC 28332; Isocaffeine (8CI); ISOCAFFIENE; 1,9-Trimethylxanthine; AC1L1B8B; AC1Q6KE0; 1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione; SCHEMBL515995; 3,9-Dihydro-1,3,9-trimethyl-1H-purine-2,6-dione
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C8H10N4O2
|
|||
| Canonical SMILES |
CN1C=NC2=C1N(C(=O)N(C2=O)C)C
|
|||
| InChI |
1S/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3
|
|||
| InChIKey |
LPHGQDQBBGAPDZ-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 519-32-4
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
88368, 618972, 3141304, 4622079, 8151089, 14993137, 24439668, 24900197, 47291305, 48334700, 51406055, 57320867, 89852472, 103269757, 103826856, 104133367, 104297416, 117598841, 125250193, 126407066, 128522047, 132556655, 135021993, 141960964, 162227597, 163127862, 164816067, 166666038, 184587017, 202824232, 223467377, 226828646, 242036974, 244874868, 250136990
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Phosphodiesterase 4 (PDE4) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Ocular hypotension induced by topical dopaminergic drugs and phosphodiesterase inhibitors. Eur J Pharmacol. 1994 Jun 2;258(1-2):85-94. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.