Compound Detail
CHEMBL175689
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NC(=O)C[C@H](NC(=O)CCCCCNC(=O)[C@@H](CC(=O)O)Cc1ccc(CP(=O)(O)O)cc1)C(=O)NCCCc1cccc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL175689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHENIHXWHJZKOZ-DGPALRBDSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
1
Publications
0
Known Names
Molecular Properties
696.7
MW (Da)
2.94
ALogP
6
HBA
7
HBD
225.2
PSA (Ų)
0.06
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth factor receptor-bound protein 2 CHEMBL3663 | Kd | 7.01 | 7.01 | 97.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 6090000.0 | 1/M*1/S | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth factor receptor-bound protein 2 | Kd | = | 97.8 | nM | 7.01 | In vitro binding affinity for growth factor receptor bound protein 2 SH2 domain ... | 15689160 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15689160 | 10.1021/jm0492709 | Growth factor receptor-bound protein 2 | 3 |
Data from ChEMBL 36 via Core Engine