General Information of the Compound
Compound ID
CP0565529
Compound Name
(13aR)-3,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[10,9-f]indolizin-6-ol
    Show/Hide
Synonyms
BDBM50213932
CHEMBL250474
[(R)-(+)-deoxytylophorinidine
    Show/Hide
Structure
Formula
C22H23NO3
Molecular Weight
349.43
Canonical SMILES
COc1ccc2c3C[C@H]4CCCN4Cc3c3cc(OC)c(O)cc3c2c1
    Show/Hide
InChI
InChI=1S/C22H23NO3/c1-25-14-5-6-15-16-8-13-4-3-7-23(13)12-20(16)19-11-22(26-2)21(24)10-18(19)17(15)9-14/h5-6,9-11,13,24H,3-4,7-8,12H2,1-2H3/t13-/m1/s1
    Show/Hide
InChIKey
DACRWRGHESRUQW-CYBMUJFWSA-N
Physicochemical Property
logP
4.2363
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
41.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44443385
SID: 163494006
ChEMBL ID
CHEMBL250474
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: PT04205, Transcription factor Jun
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 68 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
GI50 = 13 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( [(R)-(+)-deoxytylophorinidine )
Drug Name [(R)-(+)-deoxytylophorinidine
Target(s)
c-Jun messenger RNA (c-Jun mRNA)
Inhibitor