Details of the Drug

General Information of Drug (ID: DMUQH78)

Drug Name
Tempol
Synonyms MTS-01; Tempol (hypertension); Tempol (hypertension), Cary; Tempol (gel formulation, hair loss), Mitos
Indication
Disease Entry ICD 11 Status REF
Spinal cord injury ND51.2 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 172.24
Logarithm of the Partition Coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C9H18NO2
Canonical SMILES
CC1(CC(CC(N1[O])(C)C)O)C
InChI
InChI=1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2,1-4H3
InChIKey
UZFMOKQJFYMBGY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
137994
CAS Number
2226-96-2
DrugBank ID
DB12449
TTD ID
D04GZS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Superoxide dismutase Cu-Zn (SOD Cu-Zn) TT6RVLG SODC_HUMAN Modulator [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Cellular tumor antigen p53 (TP53) OTIE1VH3 P53_HUMAN Gene/Protein Processing [3]
Cyclin-dependent kinase inhibitor 1 (CDKN1A) OTQWHCZE CDN1A_HUMAN Gene/Protein Processing [3]
Endothelial PAS domain-containing protein 1 (EPAS1) OTRE3O8U EPAS1_HUMAN Protein Interaction/Cellular Processes [4]
G1/S-specific cyclin-D1 (CCND1) OT8HPTKJ CCND1_HUMAN Gene/Protein Processing [5]
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (IKBKE) OT5VYOSM IKKE_HUMAN Gene/Protein Processing [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00801086) Efficacy Study of Tempol to Prevent Hair Loss From Radiotherapy to the Brain. U.S. National Institutes of Health.
2 The superoxide dismutase mimetic, tempol, reduces the bioavailability of nitric oxide and does not alter L-NAME-induced hypertension in rats. Basic Clin Pharmacol Toxicol. 2005 Jul;97(1):29-34.
3 Role of the p53/p21 system in the response of human colon carcinoma cells to Doxorubicin. BMC Cancer. 2004 Dec 15;4:92. doi: 10.1186/1471-2407-4-92.
4 NADPH oxidase NOX4 supports renal tumorigenesis by promoting the expression and nuclear accumulation of HIF2. Cancer Res. 2014 Jul 1;74(13):3501-3511. doi: 10.1158/0008-5472.CAN-13-2979. Epub 2014 Apr 22.
5 Redox-modulating agents target NOX2-dependent IKK oncogenic kinase expression and proliferation in human breast cancer cell lines. Redox Biol. 2015 Dec;6:9-18. doi: 10.1016/j.redox.2015.06.010. Epub 2015 Jun 23.