General Information of the Compound
Compound ID
CP0037356
Compound Name
7-ETHYL-10-HYDROXY-CAMPTOTHECIN
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Synonyms
(+)-7-ETHYL-10-HYDROXYCAMPTOTHECIN
(S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
0H43101T0J
10-Hydroxy-7-ethylcamptothecin
113015-38-6
7-Ethyl-10-hydroxy camptothecin
7-Ethyl-10-hydroxy-20(S)-camptothecin
7-Ethyl-10-hydroxy-camptothecin
7-Ethyl-10-hydroxycamptothecin
7-Ethyl-10-hydroxycamptothecine
86639-52-3
CHEBI:8988
Captothecin, 7-ethyl-10-hydroxy-
LE-SN38
NSC673596
SN 38
SN 38 lactone
SN-38
SN38
UNII-0H43101T0J
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Structure
Formula
C22H20N2O5
Molecular Weight
392.411
Canonical SMILES
CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(O)cc12
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InChI
InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1
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InChIKey
FJHBVJOVLFPMQE-QFIPXVFZSA-N
CAS
86639-52-3
Physicochemical Property
logP
2.3476
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
101.65
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
29

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 104842
SID: 14805295
ChEMBL ID
CHEMBL837
DrugBank ID
DB05482
Clinical Information about the Compound
Drug 1 ( LE-SN38 )
Drug Name LE-SN38
Company NeoPharm
Indication
Colorectal cancer
Phase 2
Solid tumour/cancer
Phase 2
Target(s)
DNA topoisomerase I (TOP1)
Inhibitor