IUPAC name
N-{4-[(acridin-9-yl)amino]-3-methoxyphenyl}methanesulfonamide
SMILES
COC1=C(NC2=C3C=CC=CC3=NC3=CC=CC=C23)C=CC(NS(C)(=O)=O)=C1
Compound class
Antineoplastic Agents; Immunosuppressive Agents; Intercalating Agents; Antineoplastic and Immunomodulating Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong);
Therapeutic area
For treatment of acute myeloid leukaemia.
Common name
Amsacrine
IUPAC name
N-{4-[(acridin-9-yl)amino]-3-methoxyphenyl}methanesulfonamide
SMILES
COC1=C(NC2=C3C=CC=CC3=NC3=CC=CC=C23)C=CC(NS(C)(=O)=O)=C1
INCHI
InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
FORMULA
C21H19N3O3S
Common name
Amsacrine
IUPAC name
N-{4-[(acridin-9-yl)amino]-3-methoxyphenyl}methanesulfonamide
Molecular weight
393.459
clogP
2.781
clogS
-6.699
HBond Acceptor
4
HBond Donor
2
Total Polar Surface Area
80.32
Number of Rings
4
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00046 | aniline |
|
Nc1ccccc1 | 0.0247 |
| FDBF00211 | anisole |
|
COc1ccccc1 | 0.0423 |
| FDBF00285 | N-phenylmethanesulfonamide |
|
c1ccc(cc1)NS(=O)(=O)C | 0.0017 |
| FDBF00570 | acridin-9-amine |
|
n1c2c(c(c3c1cccc3)N)cccc2 | 0.0003 |
| FDBF00571 | 2-methoxyaniline |
|
O(C)c1c(cccc1)N | 0.0014 |
| FDBF00572 | N-(3-methoxyphenyl)methanesulfonamide |
|
O(C)c1cccc(c1)NS(=O)(=O)C | 0.0003 |
7 ,
1
