Compound Detail
CHEMBL185572
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Basic Information
| ChEMBL ID | CHEMBL185572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUIGWNGIQKNZBN-HHHXNRCGSA-N |
3
Targets
3
Activities
2
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
508.5
MW (Da)
4.84
ALogP
4
HBA
0
HBD
36.0
PSA (Ų)
0.53
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.0
IC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-K receptor CHEMBL2327 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Substance-P receptor CHEMBL249 | Kd | 9.0 | 9.0 | 1.0 | 1 |
| Substance-K receptor CHEMBL3433 | Kd | 9.0 | 9.0 | 1.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.2333 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-K receptor | IC50 | = | 0.7943 | nM | 9.1 | Inhibition of human Neurokinin 2 receptor | 16039119 |
| Substance-P receptor | Kd | = | 1.0 | nM | 9.0 | Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary arter... | 12431064 |
| Substance-K receptor | Kd | = | 1.0 | nM | 9.0 | pA2 for NK2 receptor of rabbit pulmonary artery | 16039119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16039119 | 10.1016/j.bmcl.2005.05.134 | Substance-K receptor | 2 |
| 16039119 | 10.1016/j.bmcl.2005.05.134 | Homo sapiens | 2 |
| 12431064 | 10.1021/jm0209331 | Substance-P receptor | 1 |
| 12431064 | 10.1021/jm0209331 | Homo sapiens | 1 |
| 16039119 | 10.1016/j.bmcl.2005.05.134 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine