General Information of the Compound
Compound ID
CP0193848
Compound Name
(20S)-4-Ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione
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Synonyms
(4S)-4-Ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
(S)-10-Hydroxycamptothecin
(S)-10-Hydroxycamptothecin hydrate
(S)-4-Ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
10-Hydroxy camptothecin
10-Hydroxy-Camptothecin
10-Hydroxycamptothecin
10-hydroxycamptothecin
10-hydroxycamptothecine
19685-09-7
Camptothecin, 10-hydroxy-
Camptothecin, hydroxy-
Camptothecine, 10-hydroxy-
HCPT
Hydroxycamptothecin
Hydroxycamptothecine
NSC 107124
NSC107124
UNII-9Z01632KRV
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Structure
Formula
C20H16N2O5
Molecular Weight
364.357
Canonical SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)cc4cc3Cn1c2=O
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InChI
InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1
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InChIKey
HAWSQZCWOQZXHI-FQEVSTJZSA-N
CAS
19685-09-7
Physicochemical Property
logP
1.7852
Rotatable Bonds
1
Heavy Atom Count
27
Polar Areas
101.65
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
27

"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: 97226
SID: 16124509
ChEMBL ID
CHEMBL273862
DrugBank ID
DB12385
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01170, DNA topoisomerase 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000018 HL-60
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 110 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 10-hydroxycamptothecin )
Drug Name 10-hydroxycamptothecin
Target(s)
DNA topoisomerase I (TOP1)
 Target Info 
Inhibitor