Compound Detail
CHEMBL2397485
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Basic Information
| ChEMBL ID | CHEMBL2397485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMCKDVRYGOZFPK-LPHOPBHVSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
1.16
ALogP
3
HBA
3
HBD
98.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL4027 | Ki | 7.58 | 7.58 | 26.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 38.0 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 0.6667 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | Ki | = | 26.0 | nM | 7.58 | Displacement of [3H]SP1-7 from substance P receptor (1 to 7 amino acids) binding... | 23735006 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23735006 | 10.1021/jm400209h | Caco-2 | 3 |
| 23735006 | 10.1021/jm400209h | Liver microsomes | 2 |
| 23735006 | 10.1021/jm400209h | Nucleic Acid | 1 |
| 23735006 | 10.1021/jm400209h | CHO-K1 | 1 |
| 23735006 | 10.1021/jm400209h | CHO | 1 |
| 23735006 | 10.1021/jm400209h | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine