Common name
2-iodobenzene-1,4-diol
IUPAC name
2-iodobenzene-1,4-diol
SMILES
Ic1cc(ccc1O)O
Common name
2-iodobenzene-1,4-diol
IUPAC name
2-iodobenzene-1,4-diol
SMILES
Ic1cc(ccc1O)O
INCHI
InChI=1S/C6H5IO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H
FORMULA
C6H5IO2
Common name
2-iodobenzene-1,4-diol
IUPAC name
2-iodobenzene-1,4-diol
Molecular weight
236.007
clogP
1.873
clogS
-1.750
Frequency
0.0007
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
40.46
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00166 | Liothyronine |
|
Hormone Replacement Agents; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Thyroid Hormones; Thyroid Preparations; Thyroid Therapy; | Used as replacement or supplemental therapy in patients with hypothyroidism of any etiology, except transient hypothyrodism during the recovery phase of subacute thyroiditis. |
| FDBD01236 | Liotrix |
|
Hormone Replacement Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; | May be used to treat primary, secondary or tertiary hypothyroidism. May also be used to suppress thyroid stimulating hormone (TSH) secretion in patients with simple (nontoxic) goiter, subacute or chronic lymphocytic thyroiditis multinodular goiter, and in the management of thyroid cancer. May be used in conjunction with other antithyroid agents to treat thyrotoxicosis to prevent goitrogenesis and hypothyroidism. May also be used for differential diagnosis of suspected mild hyperthyroidism or thyroid gland autonomy. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3jzc_ligand_1_1.mol2 | 3jzc | 1 | -6.94 | Oc1cc(c(cc1)O)I | 9 |
| 1nq0_ligand_1_1.mol2 | 1nq0 | 1 | -6.93 | Oc1cc(c(cc1)O)I | 9 |
| 1xzx_ligand_1_1.mol2 | 1xzx | 1 | -6.93 | c1(cc(c(cc1)O)I)O | 9 |
| 4lnw_ligand_1_1.mol2 | 4lnw | 1 | -6.92 | Oc1cc(c(cc1)O)I | 9 |
| 3gws_ligand_1_1.mol2 | 3gws | 1 | -6.90 | Oc1cc(c(cc1)O)I | 9 |
| 3jzb_ligand_1_1.mol2 | 3jzb | 1 | -6.83 | Oc1cc(c(cc1)O)I | 9 |
| 4yx9_ligand_1_1.mol2 | 4yx9 | 1 | -6.52 | c1(cc(c(cc1)O)I)O | 9 |
| 3jzc_ligand_frag_1.mol2 | 3jzc | 0.869565 | -7.00 | c1cc(c(cc1)O)I | 8 |
| 1xzx_ligand_frag_1.mol2 | 1xzx | 0.869565 | -6.99 | c1cc(c(cc1)O)I | 8 |
| 1nq0_ligand_frag_1.mol2 | 1nq0 | 0.869565 | -6.98 | c1cc(c(cc1)O)I | 8 |
1194 ,
120
