Compound Detail
CHEMBL1274
NILUTAMIDE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1274 |
| Name | NILUTAMIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | XWXYUMMDTVBTOU-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
3
Targets
6
Activities
1
Assay Types
2
PK Parameters
20
Publications
7
Known Names
5
Indications
1
Mechanisms
Molecular Properties
317.2
MW (Da)
2.45
ALogP
4
HBA
1
HBD
92.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1996 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Androgen Receptor antagonist | ANTAGONIST | Androgen receptor | ✓ | ✓ |
Indications
Neoplasms Prostatic Neoplasms Prostatic Neoplasms Prostatic Neoplasms Prostatic Neoplasms, Castration-Resistant
ATC Classification
L02BB02
nilutamide
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ENDOCRINE THERAPY
Drug Warnings
Black Box Warning
respiratory toxicity
Activity Summary
IC50 6 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 8.05 | 6.905 | 9.0 | 4 |
| ZR-75-1 CHEMBL614393 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
| T47D CHEMBL614361 | IC50 | 7.06 | 7.06 | 87.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 7.0 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 9.0 | nM | 8.05 | Inhibition of 1.0 nM [3H]mibolerone binding to human androgen receptor of PC3/AR... | 14613328 |
| Androgen receptor | IC50 | = | 9.0 | nM | 8.05 | Inhibition of [3H]mibolerone binding to human Androgen receptor of PC3/AR Cell L... | 15509168 |
| ZR-75-1 | IC50 | = | 75.0 | nM | 7.12 | Antiproliferative activity against human ZR-75-1 cells assessed as reduction in ... | 37948954 |
| T47D | IC50 | = | 87.0 | nM | 7.06 | Antiproliferative activity against human T47D cells assessed as reduction in cel... | 37948954 |
| Androgen receptor | IC50 | = | 600.0 | nM | 6.22 | Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhib... | 27933964 |
| Androgen receptor | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of Androgen receptor (unknown origin) | 35063736 |
Literature References
Data from ChEMBL 36 via Core Engine