General Information of This Drug
Drug ID DRG00037
Drug Name TGX-D1
Synonyms
TGX-D1; BL-05; GLXC-01756; 1308384-65-7
   Click to Show/Hide
Target(s) Phosphatidylinositol 3-kinase catalytic subunit type 3 (PIK3C3)  Target Info 
Structure
Formula
C23H28N4O3
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 408.5
Lipid-water partition coefficient (xlogp) 1.3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Rotatable Bond Count (rotbonds) 6
PubChem CID
53232474
Canonical smiles
CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)N(CCO)C3=CC=CC=C3)N4CCOCC4
InChI
InChI=1S/C23H28N4O3/c1-17-14-20(18(2)26(8-11-28)19-6-4-3-5-7-19)23-24-21(15-22(29)27(23)16-17)25-9-12-30-13-10-25/h3-7,14-16,18,28H,8-13H2,1-2H3
InChIKey
VNYXTYFKPUGCCT-UHFFFAOYSA-N
IUPAC Name
9-[1-[N-(2-hydroxyethyl)anilino]ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
The activity data of This Drug
Standard Type Value Disease Model Cell line Cell line ID Ref.
Half Maximal Inhibitory Concentration (IC50) 2.67 µM Prostate carcinoma LNCaP cell CVCL_0395 [1]
Each Peptide-drug Conjugate Related to This Drug
Full Information of The Activity Data of The PDC(s) Related to This Drug
KYL-TGX [Investigative]
Revealed Based on the Cell Line Data
Click To Hide/Show 1 Activity Data Related to This Level
Experiment 1 Reporting the Activity Data of This PDC [2]
Indication Prostate cancer
Efficacy Data Inhinition rate 14.93 µM
Administration Time 72 h
In Vitro Model Prostate carcinoma LNCaP C4-2 cell CVCL_4782
Half life period 4 h
References
Ref 1 Development of a peptide-drug conjugate for prostate cancer therapy. Mol Pharm. 2011 Jun 6;8(3):901-12. doi:10.1021/mp200007b. Epub 2011 May 3.
Ref 2 An enzyme-responsive conjugate improves the delivery of a PI3K inhibitor to prostate cancer. Nanomedicine. 2016 Nov;12(8):2373-2381. doi: 10.1016/j.nano.2016.07.007. Epub 2016 Jul 29.