Compound Detail
CHEMBL3408248
AZD-8186 Phase I
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Phase I
C[C@@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12
Basic Information
| ChEMBL ID | CHEMBL3408248 |
| Name | AZD-8186 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | LMJFJIDLEAWOQJ-CQSZACIVSA-N |
10
Targets
15
Activities
2
Assay Types
12
PK Parameters
20
Publications
3
Known Names
8
Indications
2
Mechanisms
Molecular Properties
457.5
MW (Da)
3.78
ALogP
6
HBA
1
HBD
75.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| PI3-kinase p110-beta subunit inhibitor | INHIBITOR | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | ✓ | ✓ |
| PI3-kinase p110-delta subunit inhibitor | INHIBITOR | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | ✓ | ✓ |
Indications
Breast Neoplasms Breast Neoplasms Carcinoma, Non-Small-Cell Lung Prostatic Neoplasms Prostatic Neoplasms Prostatic Neoplasms, Castration-Resistant Stomach Neoplasms Triple Negative Breast Neoplasms
Activity Summary
IC50 13 meas. best 8.7
Kd 2 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 8.7 | 8.54 | 2.0 | 3 |
| PI3K p110 beta/p85 alpha CHEMBL3038510 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.92 | 7.845 | 12.0 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 7.46 | 6.79 | 35.0 | 2 |
| PI3-kinase p110-delta/p85-alpha CHEMBL2111432 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| PI3-kinase p110-alpha/p85-alpha CHEMBL2111367 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 6.17 | 5.695 | 675.0 | 2 |
| DNA topoisomerase 2-beta CHEMBL3396 | Kd | 6.03 | 6.03 | 936.0 | 1 |
| Serine/threonine-protein kinase/endoribonuclease IRE2 CHEMBL4105932 | Kd | 5.82 | 5.82 | 1500.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.16 | 5.16 | 6985.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 548.98 | ng.hr.mL-1 | Mus musculus |
| CL | 77.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 73.0 | uL/min | Mus musculus |
| CL | 36.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 11.0 | uL/min | Canis lupus familiaris |
| F | 18.0 | % | Mus musculus |
| F | 23.0 | % | Canis lupus familiaris |
| Fu | 0.16 | - | Mus musculus |
| Fu | 0.31 | - | Canis lupus familiaris |
| Fu | 0.19 | - | Homo sapiens |
| Vd | 1.3 | L.kg-1 | Mus musculus |
| Vd | 2.2 | L.kg-1 | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25514658 | 10.1021/jm501629p | Mus musculus | 6 |
| 25514658 | 10.1021/jm501629p | Canis familiaris | 4 |
| 29191878 | 10.1126/science.aan4368 | Unchecked | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 32551006 | 10.1021/acsmedchemlett.0c00095 | Unchecked | 3 |
| 25514658 | 10.1021/jm501629p | Plasma | 3 |
| 25514658 | 10.1021/jm501629p | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| 25514658 | 10.1021/jm501629p | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 2 |
| 25514658 | 10.1021/jm501629p | NON-PROTEIN TARGET | 2 |
| 25514658 | 10.1021/jm501629p | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 29191878 | 10.1126/science.aan4368 | AP2-associated protein kinase 1 | 1 |
| 29191878 | 10.1126/science.aan4368 | Peroxisomal acyl-coenzyme A oxidase 1 | 1 |
| 29191878 | 10.1126/science.aan4368 | Very long-chain specific acyl-CoA dehydrogenase, mitochondrial | 1 |
| 34990979 | 10.1016/j.bmc.2021.116594 | MDA-MB-231 | 1 |
| 29191878 | 10.1126/science.aan4368 | Tyrosine-protein kinase ABL2 | 1 |
| 29191878 | 10.1126/science.aan4368 | Tyrosine-protein kinase ABL1 | 1 |
| 25514658 | 10.1021/jm501629p | No relevant target | 1 |
| 25514658 | 10.1021/jm501629p | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine