Details of the Drug

General Information of Drug (ID: DMC3P45)

Drug Name
Terameprocol
Synonyms
EM-1421; Terameprocol (INN/USAN); Meso-Tetra-O-methylnordihydroguaiaretic acid; Meso-Tetramethoxy-4,4'-(2,3-dimethyltetramethylene)dipyrocatechol; Meso-1,4-Bis-(3,4-dimethoxyphenyl)-2,3-dimethylbutane; 4-[(2S,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 358.5
Logarithm of the Partition Coefficient (xlogp) 5.6
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C22H30O4
IUPAC Name
4-[(2S,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
Canonical SMILES
C[C@H](CC1=CC(=C(C=C1)OC)OC)[C@@H](C)CC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C22H30O4/c1-15(11-17-7-9-19(23-3)21(13-17)25-5)16(2)12-18-8-10-20(24-4)22(14-18)26-6/h7-10,13-16H,11-12H2,1-6H3/t15-,16+
InChIKey
ORQFDHFZSMXRLM-IYBDPMFKSA-N
Cross-matching ID
PubChem CID
476861
CAS Number
24150-24-1
UNII
53YET703F2
DrugBank ID
DB12226
TTD ID
D00UDP
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Transcription factor Sp1 (SP1) TTZEP6S SP1_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Terameprocol, a novel site-specific transcription inhibitor with anticancer activity. IDrugs. 2008 Mar;11(3):204-14.