Compound Detail
CHEMBL2392906
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Cc1nc(-c2ccc(F)cn2)nc(NC[C@H](NC(=O)CCCN2CCNCC2)c2ccccc2)c1Cl
Basic Information
| ChEMBL ID | CHEMBL2392906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGUUREAHYUUHTJ-QFIPXVFZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
512.0
MW (Da)
3.59
ALogP
7
HBA
3
HBD
95.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 1 CHEMBL2474 | EC50 | 7.31 | 7.31 | 49.0 | 1 |
| Methionine aminopeptidase 2 CHEMBL3922 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 1 | EC50 | = | 49.0 | nM | 7.31 | Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escher... | 23507151 |
| Methionine aminopeptidase 2 | EC50 | = | 1200.0 | nM | 5.92 | Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 ex... | 23507151 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23507151 | 10.1016/j.bmc.2013.02.023 | Unchecked | 1 |
| 23507151 | 10.1016/j.bmc.2013.02.023 | Methionine aminopeptidase 2 | 1 |
| 23507151 | 10.1016/j.bmc.2013.02.023 | Methionine aminopeptidase 1 | 1 |
Data from ChEMBL 36 via Core Engine