Compound Detail
CHEMBL5847508
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COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCCO)cn5ncc(C#N)c45)cn2)C3)nc1
Basic Information
| ChEMBL ID | CHEMBL5847508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWQVOELDRRDVFM-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
2.51
ALogP
10
HBA
1
HBD
112.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 8.09 | 7.6233 | 8.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 8.1 | nM | 8.09 | RET Enzyme Assay: Compounds of Formula I were screened for their ability to inhi... | - |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 18.5 | nM | 7.73 | RET Enzyme Assay: Compounds of Formula I were screened for their ability to inhi... | - |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 90.0 | nM | 7.05 | RET G810R Mutant Assay: The potency of a compound inhibiting G81 OR mutant RET k... | - |
Data from ChEMBL 36 via Core Engine