Compound Detail
CHEMBL2037210
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Cc1cc(C(=O)Nc2cccc(Nc3ccc4c(c3)NC(=O)/C4=C\c3ccc[nH]3)c2)cc(N2CCN(C)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL2037210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBCNIGDAKZQAFQ-CEUNXORHSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
532.6
MW (Da)
5.56
ALogP
5
HBA
4
HBD
92.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| NT-3 growth factor receptor CHEMBL5608 | IC50 | 7.01 | 7.01 | 97.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.66 | 6.2975 | 220.0 | 4 |
| ADMET CHEMBL612558 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 16.0 | nM | 7.8 | Inhibition of TRKA by HTRF assay | 24900443 |
| NT-3 growth factor receptor | IC50 | = | 97.0 | nM | 7.01 | Inhibition of TRKC by HTRF assay | 24900443 |
| NON-PROTEIN TARGET | IC50 | = | 220.0 | nM | 6.66 | Antiproliferative activity against mouse BA/F3 cells expressing Tel-TRKB | 24900443 |
| NON-PROTEIN TARGET | IC50 | = | 270.0 | nM | 6.57 | Antiproliferative activity against mouse BA/F3 cells expressing Tel-TRKC | 24900443 |
| NON-PROTEIN TARGET | IC50 | = | 390.0 | nM | 6.41 | Antiproliferative activity against mouse BA/F3 cells expressing Tel-TRKA | 24900443 |
| NON-PROTEIN TARGET | IC50 | = | 2800.0 | nM | 5.55 | Antiproliferative activity against mouse BA/F3 cells expressing Tel-KDR | 24900443 |
| ADMET | IC50 | = | 4700.0 | nM | 5.33 | Antiproliferative activity against wild type mouse BA/F3 cells in presence of IL... | 24900443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900443 | 10.1021/ml200261d | NON-PROTEIN TARGET | 4 |
| 24900443 | 10.1021/ml200261d | NT-3 growth factor receptor | 1 |
| 24900443 | 10.1021/ml200261d | High affinity nerve growth factor receptor | 1 |
| 24900443 | 10.1021/ml200261d | ADMET | 1 |
Data from ChEMBL 36 via Core Engine