Drug Information

General Information of This Drug
Drug ID DRG00046
Drug Name Hydroxycamptothecin
Synonyms
SCHEMBL24513666
   Click to Show/Hide
Target(s) DNA topoisomerase 1 (TOP1)  Target Info 
Structure
Formula
C19H14N2O5
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 350.3
Lipid-water partition coefficient (xlogp) 0.1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Rotatable Bond Count (rotbonds) 0
PubChem CID
167109626
Canonical smiles
CC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)O)O
InChI
InChI=1S/C19H14N2O5/c1-19(25)13-6-15-16-10(4-9-5-11(22)2-3-14(9)20-16)7-21(15)17(23)12(13)8-26-18(19)24/h2-6,22,25H,7-8H2,1H3/t19-/m0/s1
InChIKey
INELCMUAACUTMU-IBGZPJMESA-N
IUPAC Name
(19S)-7,19-dihydroxy-19-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
Each Peptide-drug Conjugate Related to This Drug
Full Information of The Activity Data of The PDC(s) Related to This Drug
HCPTMDP26-PEG [Investigative]
 PDC Info 
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 [1]
Indication Breast cancer
Efficacy Data Half Maximal Inhibitory Concentration (IC50) 1.27 µM
Description
Peptides and drug-peptide conjugates were incubated with HepG2 cells for 48 hours followed by a CCK8 cytotoxicity assay. Despite the large population of the positive charges, supramolecular peptides alone demonstrated negligible cytotoxicity (Fig. S8, ESI). The drug conjugate, HCPT-MDP26-PEG showed a dose-dependent cytotoxicity with an IC50of 1.27 uM, comparable to the IC50of free HCPT at ˜1.3 uM (Fig. 3a). At a high drug dosage, the drug conjugate is much more potent than free HCPT.

   Click to Show/Hide
In Vitro Model Hepatoblastoma L-O2 cell line CVCL_0027
References
Ref 1 Filamentous supramolecular peptide-drug conjugates as highly efficient drug delivery vehicles. Chem Commun (Camb). 2014 May 14;50(37):4827-30. doi: 10.1039/c4cc01568a.