KEGG   DRUG: Thiotepa
Entry
D00583                      Drug                                   
Name
Thiotepa (JAN/USP/INN);
Thioplex (TN);
Tepadina (TN);
Rethio (TN)
Product
  Generic
Formula
C6H12N3PS
Exact mass
189.0490
Mol weight
189.22
Structure
Simcomp
Class
Antineoplastic
 DG01677  Alkylating agent
  DG01723  Ethylene imine
   DG01722  Thiotepa type ethylene imine
Metabolizing enzyme inhibitor
 DG02892  CYP2B6 inhibitor
Remark
Same as: C07641
Therapeutic category: 4212
ATC code: L01AC01
Product: D00583<JP/US>
Efficacy
Antineoplastic, Alkylating agent
  Disease
Beta-Thalassemia [DS:H00228]
Graft rejection [DS:H00083]
Adenocarcinoma of the breast or ovary [DS:H00031 H00027]
Papillary carcinoma of the urinary bladder [DS:H00022]
Comment
Ethylene imine
Target
DNA
Interaction
CYP inhibition: CYP2B6 [HSA:1555]
Structure map
map07040  Antineoplastics - alkylating agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01A ALKYLATING AGENTS
    L01AC Ethylene imines
     L01AC01 Thiotepa
      D00583  Thiotepa (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Alkylating Agents
   Alkylating Agents, Other
    Thiotepa
     D00583  Thiotepa (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   421  Alkylating agents
    4212  Ethyleneimines
     D00583  Thiotepa (JAN/USP/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01677  Alkylating agent
   DG01723  Ethylene imine
    DG01722  Thiotepa type ethylene imine
     D00583  Thiotepa
 Metabolizing enzyme inhibitor
  DG02892  CYP2B6 inhibitor
   D00583  Thiotepa
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00583
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00583
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00583
Other DBs
CAS: 52-24-4
PubChem: 7847649
ChEBI: 9570
LigandBox: D00583
J-GLOBAL: J2.307H
LinkDB
KCF data

ATOM        11
            1   P1a P    24.9258  -18.5335
            2   N1y N    26.3230  -18.5335
            3   N1y N    23.5287  -18.5277
            4   N1y N    24.9200  -17.1364
            5   S0  S    24.9200  -19.9365
            6   C1x C    27.5332  -19.2350
            7   C1x C    27.5272  -17.8320
            8   C1x C    22.3128  -17.8262
            9   C1x C    22.3185  -19.2350
            10  C1x C    25.6098  -15.9203
            11  C1x C    24.2068  -15.8680
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    6   7 1
            12    8   9 1
            13   10  11 1

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