Compound Detail
CHEMBL4297185
DAROLUTAMIDE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL4297185 |
| Name | DAROLUTAMIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | BLIJXOOIHRSQRB-PXYINDEMSA-N |
| Therapeutic | ✓ Yes |
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
7
Known Names
12
Indications
1
Mechanisms
Molecular Properties
398.9
MW (Da)
2.67
ALogP
6
HBA
3
HBD
119.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2019 |
| Availability | Prescription |
| Chirality | Racemic |
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 Breast Neoplasms Granulosa Cell Tumor Salivary Gland Neoplasms Salivary Gland Neoplasms
ATC Classification
L02BB06
darolutamide
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ENDOCRINE THERAPY
Activity Summary
IC50 5 meas. best 7.58
Ki 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 7.96 | 7.06 | 11.0 | 3 |
| Androgen receptor CHEMBL1871 | IC50 | 7.58 | 7.375 | 26.0 | 4 |
| LNCaP CHEMBL612518 | IC50 | 5.78 | 5.78 | 1650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 11.0 | nM | 7.96 | Inhibition of androgen receptor (unknown origin) | 32911308 |
| Androgen receptor | Ki | = | 14.0 | nM | 7.85 | Binding Assay: Androgen receptor (AR) binding affinities of test compounds were ... | - |
| Androgen receptor | IC50 | = | 26.0 | nM | 7.58 | Inhibition of androgen receptor (unknown origin) | 32911308 |
| Androgen receptor | IC50 | = | 26.0 | nM | 7.58 | Antagonist activity at androgen receptor (unknown origin) expressed in HEK293 ce... | 37948954 |
| Androgen receptor | IC50 | = | 48.0 | nM | 7.32 | Antagonist activity at CMV-tagged full length wild type human AR expressed in HE... | 36825758 |
| Androgen receptor | IC50 | = | 96.0 | nM | 7.02 | Binding Assay: Androgen receptor (AR) binding affinities of test compounds were ... | - |
| LNCaP | IC50 | = | 1650.0 | nM | 5.78 | Antiproliferative activity against human LNCAP expressing AR assessed as reducti... | 31437779 |
| Androgen receptor | Ki | = | 4231.0 | nM | 5.37 | Displacement of [3H]mibolerone from GST-tagged wild type AR ligand binding domai... | 36825758 |
Literature References
Data from ChEMBL 36 via Core Engine