General Information of the Compound
Compound ID
CP0451875
Compound Name
6-(3,5-dimethoxy-phenyl)-naphthalen-2-ol
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Synonyms
6-(3,5-Dimethoxy-phenyl)-naphthalen-2-ol
6-(3,5-dimethoxy-phenyl)-naphthalen-2-ol
BDBM50186758
CHEMBL362997
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Structure
Formula
C18H16O3
Molecular Weight
280.323
Canonical SMILES
COc1cc(OC)cc(c1)-c1ccc2cc(O)ccc2c1
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InChI
InChI=1S/C18H16O3/c1-20-17-9-15(10-18(11-17)21-2)13-3-4-14-8-16(19)6-5-12(14)7-13/h3-11,19H,1-2H3
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InChIKey
HYWKEQNSMAOKKU-UHFFFAOYSA-N
Physicochemical Property
logP
4.2296
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
38.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 11536458
SID: 16638526
ChEMBL ID
CHEMBL362997
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: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000828 HL60/MDR Homo sapiens (Human)  2
1
AC50 = 33000 nM
   TI
   LI
   LO
   TS
2
IC50 = 16000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000018 HL-60 Homo sapiens (Human)  1
1
IC50 = 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 6-(3,5-dimethoxy-phenyl)-naphthalen-2-ol )
Drug Name 6-(3,5-dimethoxy-phenyl)-naphthalen-2-ol
Target(s)
Multidrug resistance protein 1 (ABCB1)
Inhibitor