| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 22 | Yes |
Popular Name: Retigabine Retigabine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 150812-12-7 , 150812-13-8 , [150812-12-7]
150812-12-7; D09569; Ezogabine (USAN); Potiga (TN); Retigabine (INN)
2-Amino-4-(4-fluorbenzylamino)-1-ethoxycarbonylaminobenzene
AWD-21360; D-23129; GKE-841; GW582892X; WAY-143841
Carbamic acid, (2-amino-4-(((4-fluorophenyl)methyl)amino)phenyl)-, ethyl ester
Ethyl (2-amino-4-(((4-fluorophenyl)methyl)amino)phenyl)carbamate
Ethyl (2-amino-4-((4-fluorobenzyl)amino)phenyl)carbamate dihydrochloride
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
Ethyl {2-amino-4-[(4-fluorobenzyl)amino]phenyl}carbamate
N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester
N-(2-Amino-4-(4-fluorobenzylamino)phenyl)carbamic acid ethyl ester
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.08 | -2.41 | -8.57 | 4 | 5 | 0 | 76 | 303.337 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.07e-02 g/l | DrugBank-approved |
| Indications | anticonvulsant | KeyOrganics Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNQ2-1-E | Voltage-gated Potassium Channel Subunit Kv7.2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 430 | 0.41 | Binding ≤ 10μM |
| KCNQ3-1-E | Voltage-gated Potassium Channel Subunit Kv7.3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 430 | 0.41 | Binding ≤ 10μM |
| KCNQ2-1-E | Voltage-gated Potassium Channel Subunit Kv7.2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1300 | 0.37 | Functional ≤ 10μM |
| Z80936-1-O | HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other | Other | 1300 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNQ2_HUMAN | O43526 | Voltage-gated Potassium Channel Subunit Kv7.2, Human | 150 | 0.43 | Binding ≤ 1μM |
| KCNQ3_HUMAN | O43525 | Voltage-gated Potassium Channel Subunit Kv7.3, Human | 430 | 0.41 | Binding ≤ 1μM |
| KCNQ2_HUMAN | O43526 | Voltage-gated Potassium Channel Subunit Kv7.2, Human | 150 | 0.43 | Binding ≤ 10μM |
| KCNQ3_HUMAN | O43525 | Voltage-gated Potassium Channel Subunit Kv7.3, Human | 430 | 0.41 | Binding ≤ 10μM |
| Z80936 | Z80936 | HEK293 (Embryonic Kidney Fibroblasts) | 1300 | 0.37 | Functional ≤ 10μM |
| KCNQ2_MOUSE | Q9Z351 | Voltage-gated Potassium Channel Subunit Kv7.2, Mouse | 1300 | 0.37 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Interaction between L1 and Ankyrins | |
| Voltage gated Potassium channels |
