Details of the Drug Metabolite (DM)

General Information of Drug Metabolite (DM) (ID: DM020042)
DM Name
Alvocidib
Synonyms
camptothecin|Camptothecine|7689-03-4|(S)-(+)-Camptothecin|Campathecin|(+)-Camptothecine|d-Camptothecin|(+)-Camptothecin|20(S)-Camptothecine|21,22-Secocamptothecin-21-oic acid lactone|NSC94600|Camptothecine (S,+)|CHEMBL65|(S)-4-ethyl-4-hydroxy-1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione|NSC-94600|(4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione|MLS000766223|XT3Z54Z28A|CHEBI:27656|MFCD00081076|(19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione|(19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione|(S)-Camptothecin|1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (4S)-|1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (S)-|1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (4S)-|20(S)-Camptothecin|4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE|SR-01000075798|SR-01000597379|d-camptothecine|(s)-camptothecine|Camptothecin,(S)|(4S)-4-ETHYL-4-HYDROXY-1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-3,14(4H,12H)-DIONE|(S)-4-ethyl-4-hydroxy-1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione|(S)-4-Ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14-(4H,12H)-dione|1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (S)-|Prestwick_102|(+)-Camptothecin;|Camptothecine (8CI)|Spectrum_000299|Tocris-1100|SpecPlus_000712|Prestwick0_000200|Prestwick1_000200|Prestwick2_000200|Prestwick3_000200|Spectrum2_000903|Spectrum3_001203|Spectrum4_000738|Spectrum5_001126|CAMPTOTHECIN [MI]|Lopac-C-9911|SCHEMBL6038|UNII-XT3Z54Z28A|Lopac0_000341|BSPBio_000159|BSPBio_002586|KBioGR_001036|KBioSS_000779|KBioSS_002283|cid_24360|CAMPTOTHECIN [WHO-DD]|DivK1c_000826|DivK1c_006808|SPECTRUM1502232|SPBio_000746|SPBio_002080|BPBio1_000175|DTXSID0030956|HMS502J08|KBio1_000826|KBio1_001752|KBio2_000779|KBio2_003347|KBio2_005915|KBio3_002086|4-Ethyl-4-hydroxy-1H-pyrano-[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione|NINDS_000826|Bio1_000400|Bio1_000889|Bio1_001378|HMS1568H21|HMS1921N08|HMS2089F08|HMS2095H21|HMS3261E03|HMS3414J17|HMS3654D13|HMS3678J15|HMS3712H21|BCP02857|Tox21_500341|AC-202|BBL033963|BDBM50008923|CCG-40255|GR-301|s1288|STK801886|AKOS004119861|CS-1049|DB04690|KS-5235|LP00341|SDCCGMLS-0066688.P001|SDCCGSBI-0050329.P003|CAS-2114454|IDI1_000826|NCGC00015290-01|NCGC00016994-01|NCGC00016994-02|NCGC00016994-03|NCGC00016994-04|NCGC00016994-05|NCGC00016994-06|NCGC00016994-07|NCGC00016994-08|NCGC00016994-09|NCGC00016994-10|NCGC00016994-11|NCGC00016994-12|NCGC00016994-16|NCGC00016994-29|NCGC00024997-01|NCGC00024997-02|NCGC00024997-03|NCGC00024997-04|NCGC00024997-05|NCGC00024997-06|NCGC00178592-01|NCGC00178592-02|NCGC00261026-01|HY-16560|NCI60_042105|SMR000445686|SY010324|EU-0100341|SW196414-3|C 9911|C01897|M01564|AB00052452-08|AB00052452-09|AB00052452_10|EN300-1725804|(S)-(+)-Camptothecin, >=90% (HPLC), powder|A838882|Q419964|Q-200785|SR-01000075798-1|SR-01000075798-4|SR-01000597379-1|SR-01000597379-3|BRD-K37890730-001-09-4|BRD-K37890730-001-10-2|Z1741982070|(S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]florene-3,13-dione|(S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione|4-Ethyl-4-hydroxy-1H-pyrano-[3[,4[:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione|(19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione|(S)-4-Ethyl-4-hydroxy-1H-pyrano-[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione|(S)-4-Ethyl-4-hydroxy-1H-pyrano-[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione;(S)-(+)-Camptothecin|(S)-4-Ethyl-4-hydroxy-1H-pyrano[3 inverted exclamation mark ,4 inverted exclamation mark :6,7]indolizino[1,2-b]quinoline-3,14-(4H,12H)-dione|1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (S)-|4(S)-Ethyl-4-hydroxy-1H-pyrano-[3',4':6,7]indolizino[1,2-b]quinoline-3,14 (4H,12H)-dione|4-ethyl-4-hydroxy-(4S)-3,4,12,14-tetrahydro-1H-pyrano[3'',4'':6,7]indolizino[1,2-b]quinoline-3,14-dione|4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (camptothecin or CPT)|4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (Camptothecin)|4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (CPT, Camptothecin)
Structure
3D MOL 2D MOL
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
PubChem CID
5287969
Complexity
742
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
IUPAC name
(19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
Full List of Drug-Metabolizing Enzyme (DME) Related to This DM
DME(s) Producing This DM through Metabolism
DME Name DME ID Reactant Reaction Related Drug REF
Carboxylesterase 1 (CES1) DME0054
Gabapentin enacarbil
Hydrolysis - Hydrolysis Gabapentin enacarbil [1]
Full List of Drug(s) That Produce This DM By Metabolism
Gabapentin enacarbil DR3193 Phase 2 Alcohol dependence
References
1 FDA LABEL:Gabapentin enacarbil

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