Drug Information

General Information of This Drug
Drug ID DRG00021
Drug Name Exatecan
Synonyms
Exatecan; 171335-80-1; Exatecan [INN]; DX-8951; DX-8951f; OC71PP0F89; (1S,9S)-1-Amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-10H,13H-benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione; Dx 8951; (10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione; (1S,9S)-1-amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-2,3,12,15-tetrahydrobenzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13(1H,9H)-dione; C24H22FN3O4; UNII-OC71PP0F89; exatecan-mesylate; (1s,9s)-1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-10h,13h-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione; EXATECAN [MI]; EXATECAN [WHO-DD]; SCHEMBL2512959; CHEMBL1614650; DTXSID60169061; CHEBI:135709; GLXC-27628; EX-A2683; NSC829066; AKOS005146469; AT33978; BCP9000674; DB12185; NSC-829066; 10H,13H-Benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione, 1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-, (1S,9S)-; 10H,13H-Benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione, 1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-, (1S-trans)-; AC-32495; BP-27995; BP-27996; HY-13631; TS-07806; DB-064817; NS00069222; J-521361; Q5419343
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Target(s) DNA topoisomerase 1 (TOP1)  Target Info 
Structure
Formula
C24H22FN3O4
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 435.4
Lipid-water partition coefficient (xlogp) 0.4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Rotatable Bond Count (rotbonds) 1
PubChem CID
151115
Canonical smiles
CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O
InChI
InChI=1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1
InChIKey
ZVYVPGLRVWUPMP-FYSMJZIKSA-N
IUPAC Name
(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
Each Peptide-drug Conjugate Related to This Drug
Full Information of The Activity Data of The PDC(s) Related to This Drug
CBX-12 [Phase 2]
 PDC Info 
Discovered Using Cell Line-derived Xenograft Model
Click To Hide/Show 8 Activity Data Related to This Level
Experiment 1 Reporting the Activity Data of This PDC [1]
Indication Tumor
Efficacy Data Tumor Growth Inhibition value (TGI) 58.10%
Evaluation Method Tumor volume detection
Administration Time 23 days
Administration Dosage 5 mg/kg
Description
Combination treatment significantly inhibited tumor growth without significant toxicity in both mouse xenografts compared with CBX-12 and ceralasertib monotherapy without significant toxicity.
In Vivo Model HCT-116 xenografts
Experiment 2 Reporting the Activity Data of This PDC [1]
Indication Tumor
Efficacy Data Tumor Growth Inhibition value (TGI) 76.50%
Evaluation Method Tumor volume detection
Administration Time 35 days
Administration Dosage 10 mg/kg
Description
Combination treatment significantly inhibited tumor growth without significant toxicity in both mouse xenografts compared with CBX-12 and ceralasertib monotherapy without significant toxicity.
In Vivo Model MDA-MB-231 xenografts
Experiment 3 Reporting the Activity Data of This PDC [1]
Indication Tumor
Efficacy Data Tumor Growth Inhibition value (TGI) 81.40%
Evaluation Method Tumor volume detection
Administration Time 23 days
Administration Dosage 5 mg/kg with ceralasertib 25 mg/kg
Description
Combination treatment significantly inhibited tumor growth without significant toxicity in both mouse xenografts compared with CBX-12 and ceralasertib monotherapy without significant toxicity.
In Vivo Model HCT-116 xenografts
Experiment 4 Reporting the Activity Data of This PDC [1]
Indication Tumor
Efficacy Data Tumor Growth Inhibition value (TGI) 95%
Evaluation Method Tumor volume detection
Administration Time 35 days
Administration Dosage 10 mg/kg with ceralasertib 25 mg/kg
Description
Combination treatment significantly inhibited tumor growth without significant toxicity in both mouse xenografts compared with CBX-12 and ceralasertib monotherapy without significant toxicity.
In Vivo Model MDA-MB-231 xenografts
Experiment 5 Reporting the Activity Data of This PDC [1]
Indication Tumor
Efficacy Data Survival rate 60 mm3
Administration Time 45 days
Administration Dosage 5 mg/kg
Description
Combination treatment significantly inhibited tumor growth without significant toxicity in both mouse xenografts compared with CBX-12 and ceralasertib monotherapy without significant toxicity.
In Vivo Model HCT-116 xenografts
Experiment 6 Reporting the Activity Data of This PDC [1]
Indication Tumor
Efficacy Data Survival rate 75 mm3
Administration Time 42 days
Administration Dosage 10 mg/kg
Description
Combination treatment significantly inhibited tumor growth without significant toxicity in both mouse xenografts compared with CBX-12 and ceralasertib monotherapy without significant toxicity.
In Vivo Model MDA-MB-231 xenografts
Experiment 7 Reporting the Activity Data of This PDC [1]
Indication Tumor
Efficacy Data Survival rate 100 mm3
Administration Time 42 days
Administration Dosage 10 mg/kg with ceralasertib 25 mg/kg
Description
Combination treatment significantly inhibited tumor growth without significant toxicity in both mouse xenografts compared with CBX-12 and ceralasertib monotherapy without significant toxicity.
In Vivo Model MDA-MB-231 xenografts
Experiment 8 Reporting the Activity Data of This PDC [1]
Indication Tumor
Efficacy Data Survival rate 100 mm3
Administration Time 45 days
Administration Dosage 5 mg/kg with ceralasertib 25 mg/kg
Description
Combination treatment significantly inhibited tumor growth without significant toxicity in both mouse xenografts compared with CBX-12 and ceralasertib monotherapy without significant toxicity.
In Vivo Model HCT-116 xenografts
References
Ref 1 TOP1-DNA Trapping by Exatecan and Combination Therapy with ATR Inhibitor. Mol Cancer Ther. 2022 Jul 5;21(7):1090-1102. doi: 10.1158/1535-7163.MCT-21-1000.