| General Information of Drug (ID:
DR3379) |
| Drug Name |
Batabulin
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| Synonyms |
T-138067; T-138068; T-67 |
| Indication |
Solid tumour/cancer
[ICD11: 2A00-2F9Z]
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Phase 2/3
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[1]
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| Structure |
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3D MOL
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2D MOL
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| Pharmaceutical Properties |
Molecular Weight |
371.26 |
Topological Polar Surface Area |
63.8 |
| Heavy Atom Count |
24 |
Rotatable Bond Count |
4 |
| Hydrogen Bond Donor Count |
1 |
Hydrogen Bond Acceptor Count |
10 |
| Cross-matching ID |
- PubChem CID
- 216324
- CAS Number
-
- TTD Drug ID
- D08NAD
- Formula
- C13H7F6NO3S
- Canonical SMILES
- COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C(=C(C(=C2F)F)F)F)F)F
- InChI
- InChI=1S/C13H7F6NO3S/c1-23-7-3-2-5(4-6(7)14)20-24(21,22)13-11(18)9(16)8(15)10(17)12(13)19/h2-4,20H,1H3
- InChIKey
- ROZCIVXTLACYNY-UHFFFAOYSA-N
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| The Metabolic Roadmap of This Drug |
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| The Full List of Drug Metabolites (DM) of This Drug |
| DM Name |
DM ID |
PubChem ID |
Reaction |
DM Level |
REF |
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T138067-GSH
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DM018508
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N. A. |
Conjugation
-
Conjugation |
1 |
[2]
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| The Full List of Metabolic Reaction (MR) of This Drug |
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| References |
| 1 |
ClinicalTrials.gov (NCT00057382) T138067 Versus Doxorubicin in Chemotherapy-Naive, Unresectable, Hepatocellular Carcinoma Patients. U.S. National Institutes of Health.
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| 2 |
Glutathione S-transferase metabolism of the antineoplastic pentafluorophenylsulfonamide in tissue culture and mice
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