Compound Detail
CHEMBL4090634
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Nc1ccc(-c2c[nH]c3cc(-c4cncc(OC[C@@H](N)c5ccccc5)n4)ccc23)c(F)n1
Basic Information
| ChEMBL ID | CHEMBL4090634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMYBFHQGQPKHNT-HXUWFJFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
4.49
ALogP
6
HBA
3
HBD
115.7
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of human recombinant PIM1 in presence of ATP by ELISA based spectroph... | 28760531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28760531 | 10.1016/j.bmc.2017.07.036 | Serine/threonine-protein kinase pim-1 | 1 |
Data from ChEMBL 36 via Core Engine