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]

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

276.29

Topological Polar Surface Area (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

PubChem CID: 5376617
CAS Number: 7251-91-4
TTD ID: D03BHM

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], [3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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).
3	National Cancer Institute. Dictionary of Cancer Terms. 2009.
4	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
5	IGF-1R, IGF-1 and IGF-2 expression as potential prognostic and predictive markers in colorectal-cancer. Virchows Arch. 2003 Aug;443(2):139-45.
6	2005 approvals: Safety first. Nature Reviews Drug Discovery 5, 92-93 (February 2006).
7	Imidazo[2,1-b]thiazoles: multitargeted inhibitors of both the insulin-like growth factor receptor and members of the epidermal growth factor family... Bioorg Med Chem Lett. 2010 Apr 15;20(8):2452-5.
8	Mecasermin rinfabate: insulin-like growth factor-I/insulin-like growth factor binding protein-3, mecaserimin rinfibate, rhIGF-I/rhIGFBP-3. Drugs R D. 2005;6(2):120-7.
9	MM-141, an IGF-IR- and ErbB3-directed bispecific antibody, overcomes network adaptations that limit activity of IGF-IR inhibitors. Mol Cancer Ther. 2014 Feb;13(2):410-25.
10	BiPar Sciences Co-founder Reunites Management Team At TriAct Therapeutics to Advance Clinical Stage Cancer Programs. TriAct Therapeutics. Sept. 10, 2009.
11	Clinical pipeline report, company report or official report of Amgen (2009).
12	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
13	Clinical Phase I study with an Insulin-like Growth Factor-1 receptor inhibitor: experiences in patients with squamous non-small cell lung carcinoma. Acta Oncol. 2011 Apr;50(3):441-7.