Compound Detail
CHEMBL5810548
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CCn1c(-c2cccnc2[C@H](C)OC)c2c3cc(ccc31)-c1cc(O)cc(c1)C[C@H](NC(=O)[C@H](C(C)C)N1CCC3(CCN(C(=O)/C=C/CN(C)C)CC3)C1=O)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2
Basic Information
| ChEMBL ID | CHEMBL5810548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPEZANQTLYGSPX-SQIKKBOFSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
987.3
MW (Da)
6.44
ALogP
12
HBA
3
HBD
178.9
PSA (Ų)
0.11
QED
3
Ro5 Violations
11
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 | 6.26 | 55.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 7.26 | 6.86 | 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... | - |
| Unchecked | IC50 | = | 550.0 | nM | 6.26 | Biochemical Assay: A variety of Ras proteins may be inhibited by compounds of th... | - |
| Unchecked | IC50 | = | 550.0 | nM | 6.26 | Biochemical Assay: A variety of Ras proteins may be inhibited by compounds of th... | - |
| GTPase KRas | IC50 | = | 550.0 | nM | 6.26 | Biochemical Assay: A variety of Ras proteins may be inhibited by compounds of th... | - |
| GTPase KRas | IC50 | = | 5500.0 | nM | 5.26 | Biochemical Assay: A variety of Ras proteins may be inhibited by compounds of th... | - |
Data from ChEMBL 36 via Core Engine