Details of the Drug

General Information of Drug (ID: DMTEQU8)

Drug Name
2-(4-Methoxy-phenyl)-1H-indole-3-carbaldehyde
Synonyms
2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde; 76195-80-7; AC1MY4K3; CHEMBL144222; SCHEMBL15332438; CTK2G8075; DTXSID90396949; MolPort-006-701-191; IAL-1620; ZX-BK002979; ZINC3675784; KM5032; STK894724; BBL022005; AKOS005143919; MCULE-1940549514; 1H-Indole-3-carboxaldehyde, 2-(4-methoxyphenyl)-
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) 251.28
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C16H13NO2
IUPAC Name
2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde
Canonical SMILES
COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=O
InChI
InChI=1S/C16H13NO2/c1-19-12-8-6-11(7-9-12)16-14(10-18)13-4-2-3-5-15(13)17-16/h2-10,17H,1H3
InChIKey
QIMWZVMNUAWWSJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3826063
CAS Number
76195-80-7
TTD ID
D00CPM
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tubulin (TUB) TTML2WA NOUNIPROTAC Inhibitor [1]
Tubulin beta (TUBB) TTYFKSZ NOUNIPROTAC Inhibitor [1]
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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
Tubulin (TUB) DTT NO-GeName 7.94E-02 0.35 0.43
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References

1 Methoxy-substituted 3-formyl-2-phenylindoles inhibit tubulin polymerization. J Med Chem. 1998 Dec 3;41(25):4965-72.