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
ChEBI ID
CHEMBL607023
CAS Number
2226-96-2
UNII
U78ZX2F65X
DrugBank ID
DB12449
TTD ID
D04GZS
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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
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]
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.