Compound Detail
CHEMBL599376
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL599376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYPVCBLWSWFYNN-MOSHPQCFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
3.51
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) CHEMBL2221348 | EC50 | 7.31 | 7.31 | 49.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) | EC50 | = | 49.0 | nM | 7.31 | Activation of KCNQ2/KCNQ3 expressed in CHO cells by isotopic efflux assay | 20020710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20020710 | 10.1021/jm901497b | Unchecked | 7 |
| 20020710 | 10.1021/jm901497b | Rattus norvegicus | 3 |
| 20020710 | 10.1021/jm901497b | Mus musculus | 2 |
| 20020710 | 10.1021/jm901497b | Sodium-dependent serotonin transporter | 2 |
| 20020710 | 10.1021/jm901497b | B2 bradykinin receptor | 1 |
| 20020710 | 10.1021/jm901497b | Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) | 1 |
| 20020710 | 10.1021/jm901497b | Substance-P receptor | 1 |
| 20020710 | 10.1021/jm901497b | Muscarinic acetylcholine receptor M1 | 1 |
| 20020710 | 10.1021/jm901497b | Histamine H1 receptor | 1 |
| 20020710 | 10.1021/jm901497b | Endothelin-1 receptor | 1 |
| 20020710 | 10.1021/jm901497b | Sodium-dependent dopamine transporter | 1 |
| 20020710 | 10.1021/jm901497b | D(2) dopamine receptor | 1 |
| 20020710 | 10.1021/jm901497b | D(1A) dopamine receptor | 1 |
| 20020710 | 10.1021/jm901497b | Cholecystokinin receptor type A | 1 |
| 20020710 | 10.1021/jm901497b | Type-1 angiotensin II receptor | 1 |
| 20020710 | 10.1021/jm901497b | Sodium-dependent noradrenaline transporter | 1 |
| 20020710 | 10.1021/jm901497b | Beta-1 adrenergic receptor | 1 |
| 20020710 | 10.1021/jm901497b | Alpha-2A adrenergic receptor | 1 |
| 20020710 | 10.1021/jm901497b | Adrenergic receptor alpha-1 | 1 |
| 20020710 | 10.1021/jm901497b | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine