Compound Detail
CHEMBL4650360
PULRODEMSTAT BESILATE 🧪 Phase II
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🧪 Phase II
COc1ccc(-c2c(-c3ccc(C#N)c(F)c3)nc(N3CCC(N)CC3)n(C)c2=O)cc1F.O=S(=O)(O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4650360 |
| Name | PULRODEMSTAT BESILATE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | AWZCBGWZNHQCIZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4651180 |
| Active Moiety | CHEMBL4651180 |
5
Targets
11
Activities
2
Assay Types
8
PK Parameters
20
Publications
5
Known Names
5
Indications
Molecular Properties
451.5
MW (Da)
3.20
ALogP
7
HBA
1
HBD
97.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Neoplasms Leukemia Lymphoma, Non-Hodgkin Prostatic Neoplasms Small Cell Lung Carcinoma
Activity Summary
IC50 7 meas. best 9.52
EC50 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 9.52 | 9.0633 | 0.3 | 3 |
| Kasumi 1 CHEMBL613988 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Kasumi 1 CHEMBL613988 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | EC50 | 8.52 | 8.38 | 3.0 | 3 |
| THP-1 CHEMBL614245 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1173.85 | ng.hr.mL-1 | Mus musculus |
| AUC | 812.66 | ng.hr.mL-1 | Mus musculus |
| CL | 32.4 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 360.0 | nM | Mus musculus |
| Cmax | 42.08 | nM | Homo sapiens |
| F | 32.0 | % | Mus musculus |
| T1/2 | 2.0 | hr | Mus musculus |
| Tmax | 4.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine