KEGG   DRUG: TiratricolHelp
Entry
D07214                      Drug                                   

Name
Tiratricol (INN);
Tiracana (TN)
Formula
C14H9I3O4
Exact mass
621.7635
Mol weight
621.9323
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01608  Thyroid hormone
 DG01953  Thyroid preparation
  DG01608  Thyroid hormone
Remark
ATC code: D11AX08 H03AA04
Efficacy
Replenisher (thyroid hormone)
Comment
thyroid hormone analog
Target
NR1A (THR) [HSA:7067 7068] [KO:K05547 K08362]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04919  Thyroid hormone signaling pathway
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D11 OTHER DERMATOLOGICAL PREPARATIONS
   D11A OTHER DERMATOLOGICAL PREPARATIONS
    D11AX Other dermatologicals
     D11AX08 Tiratricol
      D07214  Tiratricol (INN)
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H03 THYROID THERAPY
   H03A THYROID PREPARATIONS
    H03AA Thyroid hormones
     H03AA04 Tiratricol
      D07214  Tiratricol (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Thyroid hormone receptor (THR)
    NR1A (THR)
     D07214  Tiratricol (INN)
BRITE hierarchy
Other DBs
CAS: 51-24-1
PubChem: 51091552
ChEMBL: CHEMBL41632
PDB-CCD: 4HY[PDBj]
LigandBox: D07214
NIKKAJI: J4.113K
LinkDB All DBs
KCF data Show

ATOM        21
            1   O2a O    15.7500  -14.6300
            2   C8y C    14.5600  -13.9300
            3   C8y C    14.5600  -12.5300
            4   C8x C    13.3000  -11.8300
            5   C8y C    12.1100  -12.5300
            6   C8x C    12.1100  -13.9300
            7   C8y C    13.3000  -14.6300
            8   X   I    13.3000  -16.0300
            9   X   I    15.7500  -11.8300
            10  C1b C    10.9200  -11.8300
            11  C6a C     9.7300  -12.5300
            12  O6a O     8.5400  -11.8300
            13  O6a O     9.7300  -13.9300
            14  C8y C    16.9624  -15.3300
            15  C8x C    16.9624  -16.7298
            16  C8x C    18.1749  -17.4298
            17  C8y C    19.3873  -16.7298
            18  C8y C    19.3873  -15.3300
            19  C8x C    18.1749  -14.6300
            20  O1a O    20.6018  -17.4310
            21  X   I    20.6018  -14.6288
BOND        22
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     2   7 1
            8     7   8 1
            9     3   9 1
            10    5  10 1
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14    1  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   14  19 1
            21   17  20 1
            22   18  21 1

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