Compound Detail
CHEMBL3739699
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3739699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHWCPNJRJCNVRI-UHFFFAOYSA-N |
6
Targets
35
Activities
2
Assay Types
12
PK Parameters
20
Publications
0
Known Names
Molecular Properties
371.5
MW (Da)
4.00
ALogP
5
HBA
0
HBD
64.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 26 meas. best 7.22
IC50 9 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain adjacent to zinc finger domain protein 2B CHEMBL1741220 | Kd | 7.22 | 6.553 | 60.0 | 10 |
| Bromodomain adjacent to zinc finger domain protein 2A CHEMBL3108642 | Kd | 7.22 | 6.2463 | 60.0 | 8 |
| Bromodomain adjacent to zinc finger domain protein 2B CHEMBL1741220 | IC50 | 6.44 | 6.3875 | 360.0 | 4 |
| Bromodomain adjacent to zinc finger domain protein 2A CHEMBL3108642 | IC50 | 6.4 | 6.4 | 400.0 | 3 |
| Bromodomain-containing protein 9 CHEMBL3108640 | Kd | 5.96 | 5.93 | 1100.0 | 4 |
| Transcription initiation factor TFIID subunit 1-like CHEMBL3108641 | Kd | 5.5 | 5.5 | 3190.0 | 4 |
| Transcription intermediary factor 1-alpha CHEMBL3108638 | IC50 | 4.34 | 4.34 | 45310.0 | 1 |
| E3 ubiquitin-protein ligase TRIM33 CHEMBL2176772 | IC50 | 4.29 | 4.29 | 50870.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 4495.77 | nM | Mus musculus |
| Cmax | 1171.05 | nM | Mus musculus |
| Cmax | 4495.77 | nM | Mus musculus |
| Cmax | 1171.05 | nM | Mus musculus |
| T1/2 | 4.5 | hr | Mus musculus |
| T1/2 | 1.5 | hr | Mus musculus |
| T1/2 | 4.5 | hr | Mus musculus |
| T1/2 | 1.5 | hr | Mus musculus |
| Tmax | 0.25 | hr | Mus musculus |
| Tmax | 1.0 | hr | Mus musculus |
| Tmax | 0.25 | hr | Mus musculus |
| Tmax | 1.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25799074 | 10.1021/acs.jmedchem.5b00209 | Bromodomain adjacent to zinc finger domain protein 2B | 15 |
| 25799074 | 10.1021/acs.jmedchem.5b00209 | Bromodomain adjacent to zinc finger domain protein 2A | 14 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| 25799074 | 10.1021/acs.jmedchem.5b00209 | Protein polybromo-1 | 10 |
| 25799074 | 10.1021/acs.jmedchem.5b00209 | Transcription initiation factor TFIID subunit 1-like | 10 |
| 25799074 | 10.1021/acs.jmedchem.5b00209 | Bromodomain-containing protein 9 | 9 |
| 25799074 | 10.1021/acs.jmedchem.5b00209 | Bromodomain-containing protein 4 | 6 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| 25799074 | 10.1021/acs.jmedchem.5b00209 | Mus musculus | 6 |
| 25799074 | 10.1021/acs.jmedchem.5b00209 | ADMET | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| 25799074 | 10.1021/acs.jmedchem.5b00209 | Bromodomain-containing protein 3 | 4 |
| 33691794 | 10.1186/s13148-021-01037-1 | A549 | 4 |
| 25799074 | 10.1021/acs.jmedchem.5b00209 | Bromodomain testis-specific protein | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 25799074 | 10.1021/acs.jmedchem.5b00209 | Bromodomain-containing protein 2 | 4 |
| 25799074 | 10.1021/acs.jmedchem.5b00209 | Transcription initiation factor TFIID subunit 1 | 4 |
| - | 10.6019/CHEMBL5212743 | Transcription initiation factor TFIID subunit 1-like | 3 |
| - | 10.6019/CHEMBL5212743 | Bromodomain-containing protein 9 | 3 |
Data from ChEMBL 36 via Core Engine