Compound Detail
CHEMBL3183409
APALUTAMIDE 💊 Approved Drug
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💊 Approved Drug
CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F
Basic Information
| ChEMBL ID | CHEMBL3183409 |
| Name | APALUTAMIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | HJBWBFZLDZWPHF-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
4
Targets
16
Activities
3
Assay Types
12
PK Parameters
20
Publications
5
Known Names
10
Indications
1
Mechanisms
Molecular Properties
477.4
MW (Da)
3.53
ALogP
5
HBA
1
HBD
89.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2018 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Androgen Receptor antagonist | ANTAGONIST | Androgen receptor | ✓ | ✓ |
Indications
Neoplasms Neoplasms Prostatic Neoplasms Prostatic Neoplasms Prostatic Neoplasms Prostatic Neoplasms Prostatic Neoplasms, Castration-Resistant Prostatic Neoplasms, Castration-Resistant Salivary Gland Neoplasms Liver Diseases
ATC Classification
L02BB05
apalutamide
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ENDOCRINE THERAPY
Activity Summary
IC50 11 meas. best 7.8
Ki 4 meas. best 7.46
Kd 1 meas. best 4.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 7.8 | 6.5611 | 16.0 | 9 |
| Androgen receptor CHEMBL1871 | Ki | 7.46 | 6.7767 | 34.7 | 3 |
| LNCaP CHEMBL612518 | IC50 | 6.76 | 6.76 | 174.0 | 1 |
| Androgen receptor CHEMBL3072 | Ki | 5.84 | 5.84 | 1452.0 | 1 |
| GABA-A receptor; anion channel CHEMBL2093872 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Androgen receptor CHEMBL1871 | Kd | 4.34 | 4.34 | 45180.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 61560.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 14752.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 4494658.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 6953.75 | nM | Mus musculus |
| Cmax | 1981.4 | nM | Rattus norvegicus |
| Cmax | 9069.2 | nM | Mus musculus |
| MRT | 10.7 | hr | Rattus norvegicus |
| T1/2 | 5.9 | hr | Mus musculus |
| T1/2 | 7.4 | hr | Rattus norvegicus |
| Tmax | 6.0 | hr | Mus musculus |
| Tmax | 3.5 | hr | Rattus norvegicus |
| Tmax | 4.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine