Details of the Drug

General Information of Drug (ID: DMVWZN1)

Drug Name

F-200

Synonyms

Eos-200-F; Anti-alpha-5/beta-1 integrin Ab Fragment, PDL; Anti-alpha-5/beta-1 integrin Fab, PDL; Anti-alpha-5/beta-1 integrin Fab, Protein Design Labs

Indication

Disease Entry	ICD 11	Status	REF
Ocular disease	1F00.1Z	Terminated	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

371.4

Topological Polar Surface Area (xlogp)

3.5

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C18H18FN5OS
IUPAC Name: 4-fluoro-N-methyl-N-[4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide
Canonical SMILES: CC(C)NC1=NC=NC(=C1)C2=CSC(=N2)N(C)C(=O)C3=CC=C(C=C3)F
InChI: InChI=1S/C18H18FN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)
InChIKey: WIVGIKIKQHUFOD-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 16660135
TTD ID: D0ZV0R

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Integrin alpha-5/beta-1 (ITGA5/B1)	TTH4QIS	ITA5_HUMAN-ITB1_HUMAN	Inhibitor	[2]

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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

Ocular disease

ICD Disease Classification

1F00.1Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Integrin alpha-5/beta-1 (ITGA5/B1)	DTT	ITGA5-ITGB1	2.88E-04	0.22	1.11

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 800018439)
2	US patent application no. 8,541,413, Sustained release eye drop formulations.
3	A non-RGD-based integrin binding peptide (ATN-161) blocks breast cancer growth and metastasis in vivo. Mol Cancer Ther. 2006 Sep;5(9):2271-80.
4	Preclinical evaluation of an anti-alpha5beta1 integrin antibody as a novel anti-angiogenic agent. J Exp Ther Oncol. 2006;5(4):273-86.
5	Gene electrotransfer of plasmid AMEP, an integrin-targeted therapy, has antitumor and antiangiogenic action in murine B16 melanoma.Gene Ther.2015 Jul;22(7):578-90.