General Information of Drug (ID: DM8YQ2O)

Drug Name
1-Methoxy-6-phenyl-6H-benzo[c]chromen-8-ylamine
Synonyms CHEMBL292721; 1-Methoxy-6-phenyl-6H-benzo[c]chromen-8-ylamine; SCHEMBL7234473; MVULNNIYAGEMCC-UHFFFAOYSA-N; BDBM50144165
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) 303.4
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C20H17NO2
IUPAC Name
1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine
Canonical SMILES
COC1=CC=CC2=C1C3=C(C=C(C=C3)N)C(O2)C4=CC=CC=C4
InChI
InChI=1S/C20H17NO2/c1-22-17-8-5-9-18-19(17)15-11-10-14(21)12-16(15)20(23-18)13-6-3-2-4-7-13/h2-12,20H,21H2,1H3
InChIKey
MVULNNIYAGEMCC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
18189209
TTD ID
D05XVM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glucocorticoid receptor messenger RNA (GCR mRNA) TTOZRK6 GCR_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
Glucocorticoid receptor messenger RNA (GCR mRNA) DTT NR3C1 3.19E-02 0.54 1.67
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis and biological evaluation of novel, selective, nonsteroidal glucocorticoid receptor antagonists. Bioorg Med Chem Lett. 2004 May 3;14(9):2079-82.