Details of the Drug

General Information of Drug (ID: DMTEG6B)

Drug Name
PENCLOMEDINE
Synonyms Penclomidine; CRC-88-04; 3,5-Dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 325.4
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C8H6Cl5NO2
IUPAC Name
3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine
Canonical SMILES
COC1=C(C(=NC(=C1Cl)OC)C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C8H6Cl5NO2/c1-15-5-3(9)6(8(11,12)13)14-7(16-2)4(5)10/h1-2H3
InChIKey
DZVPGIORVGSQMC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
60203
CAS Number
108030-77-9
DrugBank ID
DB12987
TTD ID
D0PR6H

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Human Deoxyribonucleic acid (hDNA) TTUTN1I NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00002946) Penclomedine in Treating Patients With Solid Tumors or Lymphoma. U.S. National Institutes of Health.
2 The alkylating agent penclomedine induces degeneration of purkinje cells in the rat cerebellum. Invest New Drugs. 2003 Aug;21(3):269-79.