Details of the Drug

General Information of Drug (ID: DMIUS5X)

Drug Name

R1507

Indication

Disease Entry	ICD 11	Status	REF
Graves ophthalmopathy	9C82.3	Phase 2	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

276.29

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C17H12N2O2
IUPAC Name: 2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline
Canonical SMILES: C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C17H12N2O2/c20-19(21)16-6-3-4-13(12-16)8-10-15-11-9-14-5-1-2-7-17(14)18-15/h1-12H/b10-8+
InChIKey: URIXDBULDXTIHZ-CSKARUKUSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Insulin-like growth factor I receptor (IGF1R)	TTHRID2	IGF1R_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Graves ophthalmopathy

ICD Disease Classification

9C82.3

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Insulin-like growth factor I receptor (IGF1R)	DTT	IGF1R	1.64E-01	0.25	0.64

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800015801)
2	Clinical pipeline report, company report or official report of Roche (2009).