General Information of the Compound
Compound ID
CP0043740
Compound Name
1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphthalenyloxy)-2-propanol;hydrochloride
    Show/Hide
Synonyms
(+-)-1-(4-(2-Methoxyphenyl)piperazinyl)-3-(1-naphthyloxy)propan-2-ol
(RS)-1-(4-(2-methoxyphenyl)-1-piperazinyl)-3-(1-naphthyloxy)-2-propanol
1-(4-(2-methoxyphenyl)piperazin-1-yl)-3-(naphthalen-1-yloxy)propan-2-ol
4-(2-Methoxyphenyl)-alpha-((1-naphthalenyloxy)methyl)-1-pioerazineethanol
57149-07-2
Avishot
BM-15275
BRN 0629965
C24H28N2O3
CHEMBL142635
DSSTox_CID_25176
DSSTox_RID_80725
Flivas
KT-611
NAFTOPIDIL
NCGC00015718-06
Naftopidil (Flivas)
Naftopidil (unspecified)
Naftopidil [INN]
Naftopidilum [Latin]
naftopidil
    Show/Hide
Structure
Formula
C24H28N2O3
Molecular Weight
392.499
Canonical SMILES
COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
    Show/Hide
InChI
InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
    Show/Hide
InChIKey
HRRBJVNMSRJFHQ-UHFFFAOYSA-N
CAS
57149-07-2
Physicochemical Property
logP
3.4103
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
45.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 4418
SID: 12013545
ChEMBL ID
CHEMBL142635
DrugBank ID
DB12092
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: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 26121.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( NAFTOPIDIL )
Drug Name NAFTOPIDIL
Indication
Hypertension
Approved
Target(s)
Adrenergic receptor alpha-1A (ADRA1A)
 Target Info 
Inhibitor