General Information of the Compound
Compound ID
CP0002667
Compound Name
ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
    Show/Hide
Synonyms
ADD-230001
Carbamic acid, (2-amino-4-(((4-fluorophenyl)methyl)amino)phenyl)-, ethyl ester
D 20443
D 23129
D-20443
D-23129
Ethyl (2-amino-4-(((4-fluorophenyl)methyl)amino)phenyl)carbamate
Ethyl 2-amino-4-((p-fluorobenzyl)amino)carbanilate
Ethyl N-(2-amino-4-(4-fluorobenzylamino)phenyl)carbamate hydrochloride
Ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
Ezogabine
GKE-841
KE-0201
N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester
N-(2-Amino-4-(4-fluorobenzylamino)phenyl)carbamic acid ethyl ester
Potiga
Retigabine
Retigabine [USAN]
Trobalt
[2-Amino-4-[[(4-fluorophenyl)methyl]amino]phenyl]-carbamate
    Show/Hide
Structure
Formula
C16H18FN3O2
Molecular Weight
303.337
Canonical SMILES
CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
    Show/Hide
InChI
InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)
    Show/Hide
InChIKey
PCOBBVZJEWWZFR-UHFFFAOYSA-N
CAS
150812-12-7
Physicochemical Property
logP
3.5884
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
76.38
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 121892
SID: 12015005
ChEMBL ID
CHEMBL41355
DrugBank ID
DB04953
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: PT03912, Potassium voltage-gated channel subfamily KQT member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 350 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 4210 nM
Protein ID: PT06112, Potassium voltage-gated channel subfamily KQT member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 1300 nM
   TI
   LI
   LO
   TS
Protein ID: PT03090, Potassium voltage-gated channel subfamily KQT member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 2170 nM
   TI
   LI
   LO
   TS
Protein ID: PT06018, Potassium voltage-gated channel subfamily KQT member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 5900 nM
   TI
   LI
   LO
   TS
Protein ID: PT04631, Potassium voltage-gated channel subfamily KQT member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 3450 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Retigabine )
Drug Name Retigabine
Company GSK
Indication
Behcet disease
Approved
Epilepsy
Withdrawn from market
Target(s)
Voltage-gated potassium channel Kv7.3 (KCNQ3)
Modulator