Compound Detail
CHEMBL5852899
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C=CC(=O)N1CCCN(C(=O)N(C)[C@H](C(=O)N[C@H]2Cc3cc(O)cc(c3)-c3ccc4c(c3)c(c(-c3cccnc3[C@H](C)OC)n4CC)CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C2=O)C(C)C)CC1
Basic Information
| ChEMBL ID | CHEMBL5852899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPXZRQDBMFGWTE-SWLQFZOHSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
933.2
MW (Da)
6.25
ALogP
11
HBA
3
HBD
178.9
PSA (Ų)
0.13
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GTPase KRas CHEMBL2189121 | IC50 | 7.26 | 7.26 | 55.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 7.26 | 7.26 | 55.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 55.0 | nM | 7.26 | Biochemical Assay: A variety of Ras proteins may be inhibited by compounds of th... | - |
| GTPase KRas | IC50 | = | 55.0 | nM | 7.26 | Biochemical Assay: A variety of Ras proteins may be inhibited by compounds of th... | - |
| Unchecked | IC50 | = | 55.0 | nM | 7.26 | Biochemical Assay: A variety of Ras proteins may be inhibited by compounds of th... | - |
| Unchecked | IC50 | = | 55.0 | nM | 7.26 | Biochemical Assay: A variety of Ras proteins may be inhibited by compounds of th... | - |
| GTPase KRas | IC50 | = | 55.0 | nM | 7.26 | Biochemical Assay: A variety of Ras proteins may be inhibited by compounds of th... | - |
| GTPase KRas | IC50 | = | 55.0 | nM | 7.26 | Biochemical Assay: A variety of Ras proteins may be inhibited by compounds of th... | - |
| Unchecked | IC50 | = | 55.0 | nM | 7.26 | Biochemical Assay: A variety of Ras proteins may be inhibited by compounds of th... | - |
| Unchecked | IC50 | = | 55.0 | nM | 7.26 | Biochemical Assay: A variety of Ras proteins may be inhibited by compounds of th... | - |
Data from ChEMBL 36 via Core Engine