Details of the Drug

General Information of Drug (ID: DM2D5HB)

Drug Name

1-Methoxy-6-phenyl-6H-benzo[c]chromene

Synonyms

CHEMBL63422; 1-Methoxy-6-phenyl-6H-benzo[c]chromene

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

288.3

Logarithm of the Partition Coefficient (xlogp)

4.8

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H16O2
IUPAC Name: 1-methoxy-6-phenyl-6H-benzo[c]chromene
Canonical SMILES: COC1=CC=CC2=C1C3=CC=CC=C3C(O2)C4=CC=CC=C4
InChI: InChI=1S/C20H16O2/c1-21-17-12-7-13-18-19(17)15-10-5-6-11-16(15)20(22-18)14-8-3-2-4-9-14/h2-13,20H,1H3
InChIKey: SZYXTCHBPGBQPM-UHFFFAOYSA-N

Cross-matching ID

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]

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Molecular Interaction Atlas (MIA)

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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
Glucocorticoid receptor messenger RNA (GCR mRNA)	DTT	NR3C1	3.19E-02	0.54	1.67

Molecular Expression Atlas (MEA)

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References

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