Details of the Drug

General Information of Drug (ID: DM7LN53)

Drug Name
4-cyclopentyliden(4-hydroxyphenyl)methylphenol
Synonyms
4-cyclopentyliden(4-hydroxyphenyl)methylphenol; 66422-10-4; SCHEMBL3902681; CHEMBL352015; CTK1J4764; DTXSID00468323; ZINC13650257; bis(4-hydroxyphenyl)methylidenecyclopentane; 4,4'-(Cyclopentylidenemethylene)bis(phenol); Phenol, 4-[cyclopentylidene(4-hydroxyphenyl)methyl]-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 266.3
Topological Polar Surface Area (xlogp) 4.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C18H18O2
IUPAC Name
4-[cyclopentylidene-(4-hydroxyphenyl)methyl]phenol
Canonical SMILES
C1CCC(=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C1
InChI
InChI=1S/C18H18O2/c19-16-9-5-14(6-10-16)18(13-3-1-2-4-13)15-7-11-17(20)12-8-15/h5-12,19-20H,1-4H2
InChIKey
GIGYKXHGYNZBEN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11543532
CAS Number
66422-10-4
TTD ID
D04OHM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Protein kinase C alpha (PRKCA) TTFJ8Q1 KPCA_HUMAN Inhibitor [1]
Protein kinase C beta (PRKCB) TTYPXQF KPCB_HUMAN Inhibitor [1]
Protein kinase C gamma (PRKCG) TTRFOXJ KPCG_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Protein kinase C gamma (PRKCG) DTT PRKCG 9.42E-04 0.06 0.3
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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15 ClinicalTrials.gov (NCT03492125) A Study Of The Selective PKC-beta Inhibitor MS- 553. U.S. National Institutes of Health.
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