Common name
pyridin-4-amine
IUPAC name
pyridin-4-amine
SMILES
Nc1ccncc1
Common name
pyridin-4-amine
IUPAC name
pyridin-4-amine
SMILES
Nc1ccncc1
INCHI
InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)
FORMULA
C5H6N2
Common name
pyridin-4-amine
IUPAC name
pyridin-4-amine
Molecular weight
94.115
clogP
0.787
clogS
-0.970
Frequency
0.0007
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
38.91
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00102 | Torasemide |
|
Antihypertensive Agents; Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Cardiovascular System; Sulfonamides, Plain; High-Ceiling Diuretics; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; | For the treatment of edema associated with congestive heart failure, renal disease, or hepatic disease. Also for the treatment of hypertension alone or in combination with other antihypertensive agents. |
| FDBD01428 | Dalfampridine |
|
Potassium Channel Blockers; Nervous System; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); | Dalfampridine is a neurofunctional modifier that helps improve walking speed in patients with multiple sclerosis (MS). |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1uvt_ligand_1_0.mol2 | 1uvt | 1 | -6.17 | n1ccc(cc1)N | 7 |
| 3hmm_ligand_1_2.mol2 | 3hmm | 1 | -6.13 | Nc1ccncc1 | 7 |
| 1xka_ligand_1_5.mol2 | 1xka | 1 | -6.10 | Nc1ccncc1 | 7 |
| 1qbv_ligand_1_7.mol2 | 1qbv | 1 | -6.05 | Nc1ccncc1 | 7 |
| 4u44_ligand_1_2.mol2 | 4u44 | 1 | -6.02 | c1(ccncc1)N | 7 |
| 4u45_ligand_1_0.mol2 | 4u45 | 1 | -6.02 | c1cc(ccn1)N | 7 |
| 1uvs_ligand_1_8.mol2 | 1uvs | 1 | -6.01 | c1(ccncc1)N | 7 |
| 4cc6_ligand_1_2.mol2 | 4cc6 | 1 | -6.00 | Nc1ccncc1 | 7 |
668 ,
67
