Compound Detail
CHEMBL5287923
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COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2cc1C1CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1
Basic Information
| ChEMBL ID | CHEMBL5287923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIUMLDLNPGCAPX-GGCSJQPYSA-N |
11
Targets
30
Activities
3
Assay Types
4
PK Parameters
19
Publications
0
Known Names
Molecular Properties
1028.3
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 19 meas. best 8.07
IC50 9 meas. best 8.16
Kd 2 meas. best 8.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CAL-62 CHEMBL1075413 | IC50 | 8.16 | 8.16 | 7.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 8.16 | 8.16 | 7.0 | 1 |
| ASPC1 CHEMBL612588 | IC50 | 8.16 | 8.16 | 7.0 | 1 |
| Son of sevenless homolog 1 CHEMBL2079846 | Kd | 8.09 | 7.56 | 8.1 | 2 |
| von Hippel-Lindau disease tumor suppressor/SOS1 CHEMBL5169070 | EC50 | 8.07 | 7.9911 | 8.4 | 19 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 8.0 | 8.0 | 10.1 | 1 |
| NCI-H358 CHEMBL614135 | IC50 | 7.89 | 7.89 | 12.9 | 1 |
| PANC-1 CHEMBL614139 | IC50 | 7.86 | 7.86 | 13.8 | 1 |
| SW-620 CHEMBL612262 | IC50 | 7.73 | 7.73 | 18.5 | 1 |
| LoVo CHEMBL614721 | IC50 | 7.35 | 7.35 | 44.5 | 1 |
| A549 CHEMBL392 | IC50 | 6.98 | 6.98 | 105.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 14090.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 14090.0 | ng.hr.mL-1 | Mus musculus |
| T1/2 | 9.69 | hr | Mus musculus |
| T1/2 | 9.69 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine