Responsive image

Common name

acridin-9-amine

IUPAC name

acridin-9-amine

SMILES

n1c2c(c(c3c1cccc3)N)cccc2

Common name

acridin-9-amine

IUPAC name

acridin-9-amine

SMILES

n1c2c(c(c3c1cccc3)N)cccc2

INCHI

InChI=1S/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H2,14,15)

FORMULA

C13H10N2

Responsive image

Common name

acridin-9-amine

IUPAC name

acridin-9-amine





Molecular weight

194.232

clogP

2.771

clogS

-3.810

Frequency

0.0003





HBond Acceptor

1

HBond Donor

2

Total Polar
Surface Area

38.91

Number of Rings

3

Rotatable Bond

0

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00163 Amsacrine Responsive image Antineoplastic Agents; Immunosuppressive Agents; Intercalating Agents; Antineoplastic and Immunomodulating Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong); For treatment of acute myeloid leukaemia.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2xui_ligand_1_11.mol2 2xui 1 -8.04 c1(c2ccccc2nc2ccccc12)N 15
2xup_ligand_1_11.mol2 2xup 1 -8.03 Nc1c2ccccc2nc2ccccc12 15
4bds_ligand.mol2 4bds 1 -7.91 c1cccc2nc3ccccc3c(c12)N 16
2xuf_ligand_1_11.mol2 2xuf 1 -7.81 c1(c2ccccc2nc2ccccc12)N 15
3frg_ligand_1_2.mol2 3frg 1 -6.99 Nc1ccnc2ccccc12 11
2zaz_ligand_1_1.mol2 2zaz 1 -6.67 c1cc2c(cc1)c(ccn2)N 11
4qt0_ligand_1_1.mol2 4qt0 1 -6.57 Nc1ccnc2c1cccc2 11
4qsm_ligand_1_1.mol2 4qsm 1 -6.51 c1c(c2c(nc1)cccc2)N 11
1qvt_ligand.mol2 1qvt 0.964286 -7.97 c1cc(cc2nc3cc(ccc3cc12)N)N 17
1qvu_ligand.mol2 1qvu 0.964286 -7.89 c1cc(cc2nc3cc(ccc3cc12)N)N 17
171 , 18