Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01383
|
|||||
| Drug Name |
Camptothecin
|
|||||
| Synonyms |
camptothecin; Camptothecine; 7689-03-4; (S)-(+)-Camptothecin; Campathecin; d-Camptothecin; (+)-Camptothecine; (+)-Camptothecin; 20(S)-Camptothecine; 21,22-Secocamptothecin-21-oic acid lactone; NSC94600; (S)-Camptothecin; Camptothecine (8CI); 20(S)-Camptothecin; Camptothecine (S,+); CHEMBL65; UNII-XT3Z54Z28A; MLS000766223; (4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; XT3Z54Z28A; CHEBI:27656; VSJKWCGYPAHWDS-FQEVSTJZSA-N; Camptothecin, Camptotheca acuminata; NSC-94600; Camptothecin derivat
|
|||||
| Drug Type |
Small molecular drug
|
|||||
| Indication | Non-small cell lung cancer [ICD11:2C25] | Phase 3 | [1] | |||
| Structure |
|
 |
||||
| 3D MOL | 2D MOL | |||||
| Formula |
C20H16N2O4
|
|||||
| Canonical SMILES |
CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O
|
|||||
| InChI |
InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
|
|||||
| InChIKey |
VSJKWCGYPAHWDS-FQEVSTJZSA-N
|
|||||
| CAS Number |
CAS 2086-83-1
|
|||||
| Pharmaceutical Properties | Molecular Weight | 348.4 | Topological Polar Surface Area | 79.7 | ||
| Heavy Atom Count | 26 | Rotatable Bond Count | 1 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 5 | |||
| XLogP |
1
|
|||||
| PubChem CID | ||||||
| PubChem SID |
5009
,399733
,597746
,842008
,925175
,3140967
,7887296
,7978848
,8139651
,8150064
,8167780
,10321203
,11111011
,11112910
,11113913
,11120280
,11120768
,11121256
,11336001
,11341983
,11361240
,11362166
,11363193
,11365755
,11368317
,11372185
,11374175
,11376479
,11377982
,11446457
,11462212
,11466228
,11467348
,11484482
,11485816
,11487568
,11488719
,11491018
,11492553
,11494113
,11537709
,14827597
,14900711
,17404904
,24278352
,26612343
,26680346
,26732559
,26747153
,26747154
|
|||||
| ChEBI ID |
ChEBI:16118
|
|||||
| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| MRP2 | Transporter Info | Multidrug resistance-associated protein 2 | Substrate | [3] | ||
| MRP4 | Transporter Info | Multidrug resistance-associated protein 4 | Substrate | [4] | ||
| References | ||||||
| 1 | ClinicalTrials.gov (NCT00826644) Trial of Belotecan/Cisplatin in Chemotherapy Naive Small Cell Lung Cancer Patient | |||||
| 2 | The beta-carboline alkaloid harmine inhibits BCRP and can reverse resistance to the anticancer drugs mitoxantrone and camptothecin in breast cancer cells. Phytother Res. 2010 Jan;24(1):146-9. | |||||
| 3 | Pharmacogenetics of membrane transporters: an update on current approaches. Mol Biotechnol. 2010 Feb;44(2):152-67. | |||||
| 4 | Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007. | |||||
If you find any error in data or bug in web service, please kindly report it to Dr. Li and Dr. Fu.