Molecular Details
DICL_CP_0318142
- 1-(cyclopropylmethyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0318142
PubChem CID
N/A (Not available)
Molecular Formula
C16H17NO2 Molecular Weight
255.317 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
ONEFAKWTCVLQEY-UHFFFAOYSA-N
InChI
InChI=1S/C16H17NO2/c1-11-14(16(18)19)9-15(13-5-3-2-4-6-13)17(11)10-12-7-8-12/h2-6,9,12H,7-8,10H2,1H3...
IUPAC Name
1-(cyclopropylmethyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
36 38 0 0 0 0 0 0 0 0999 V2000
1.9589 2.4556 0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6028 1.8533 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5112 2.549...
Experimental Data
Activity Data
Target Ion Channel
Two-pore channel subunit TPC2
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 7.4
Holding Potential
Not specified
Temperature
37 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
19
Rotatable Bonds
4
logP
3.5717
Complexity
74.2883
TPSA (Ų)
42.23
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
3