Molecular Details
DICL_CP_0336371
- 4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0336371
PubChem CID
Molecular Formula
C21H27NO2 Molecular Weight
325.452 g/mol
Synonyms/Alias
[Ifenprodil; 23210-56-2; ifenprodil tartrate; IFENPRODIL HEMITARTRATE; Dilvax; 4-(2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl)phenol; 4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol; RC 61-91; Ife...
InChI Key
UYNVMODNBIQBMV-UHFFFAOYSA-N
InChI
InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16...
IUPAC Name
4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
CAS Number
23210-56-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
51 53 0 0 0 0 0 0 0 0999 V2000
-2.2568 -0.1457 2.1331 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7297 -0.4808 0.7296 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3367 0.472...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily M member 7
Uniprot Accession Number
Function
Inactive
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
No effect
Experimental Conditions
pH
pH 7.2
Holding Potential
−100 to 100 mV mV
Temperature
25 °C
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
24
Rotatable Bonds
5
logP
3.7688
Complexity
96.9716
TPSA (Ų)
43.7
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
3