Common name
quinolin-8-amine
IUPAC name
quinolin-8-amine
SMILES
n1c2c(cccc2ccc1)N
Common name
quinolin-8-amine
IUPAC name
quinolin-8-amine
SMILES
n1c2c(cccc2ccc1)N
INCHI
InChI=1S/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2
FORMULA
C9H8N2
Common name
quinolin-8-amine
IUPAC name
quinolin-8-amine
Molecular weight
144.173
clogP
1.774
clogS
-2.409
Frequency
0.0003
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
38.91
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00937 | Primaquine |
|
Antimalarials; Antiprotozoal Agents; Antiparasitic Products, Insecticides and Repellents; Aminoquinolines; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of malaria. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ypf_ligand_frag_0.mol2 | 4ypf | 0.931034 | -6.76 | c1c(cc2ccccc2n1)N | 11 |
| 4ypf_ligand.mol2 | 4ypf | 0.931034 | -6.76 | c1c(N)cc2ccccc2n1 | 12 |
| 4jyv_ligand_1_6.mol2 | 4jyv | 0.857143 | -6.98 | Nc1cc2c(cncc2)cc1 | 11 |
| 4eoi_ligand_frag_5.mol2 | 4eoi | 0.851852 | -7.51 | c1ccc2ncccc2c1 | 10 |
| 4eop_ligand_frag_4.mol2 | 4eop | 0.851852 | -7.51 | c1ccc2ncccc2c1 | 10 |
| 4eol_ligand_frag_5.mol2 | 4eol | 0.851852 | -7.49 | c1ccc2ncccc2c1 | 10 |
| 4eos_ligand_frag_5.mol2 | 4eos | 0.851852 | -7.49 | c1ccc2ncccc2c1 | 10 |
| 4eon_ligand_frag_4.mol2 | 4eon | 0.851852 | -7.46 | c1ccc2ncccc2c1 | 10 |
| 4ryl_ligand_frag_0.mol2 | 4ryl | 0.851852 | -7.45 | c1cc2cnccc2cc1 | 10 |
159 ,
16
