Compound Detail
CHEMBL36016
DIAZIQUONE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL36016 |
| Name | DIAZIQUONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | WVYXNIXAMZOZFK-UHFFFAOYSA-N |
7
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
5
Known Names
Molecular Properties
364.4
MW (Da)
-0.32
ALogP
8
HBA
2
HBD
116.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
EC50 5 meas. best 6.07
IC50 3 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
| CCRF-CEM CHEMBL382 | EC50 | 6.07 | 6.07 | 860.0 | 1 |
| U-266 CHEMBL2366315 | EC50 | 5.55 | 5.55 | 2800.0 | 1 |
| RPMI-8226 CHEMBL614882 | EC50 | 5.47 | 5.47 | 3400.0 | 1 |
| MCF7 CHEMBL387 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| EMT6 CHEMBL614294 | IC50 | 5.3 | 5.21 | 5000.0 | 2 |
| HeLa CHEMBL399 | EC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 63.0 | nM | 7.2 | In vitro cytotoxicity tested against human chronic leukemia K562 cells | 9022802 |
| CCRF-CEM | EC50 | = | 860.0 | nM | 6.07 | Cytotoxicity against human CEM cells assessed as viable cells after 72 hrs by ca... | 20192247 |
| U-266 | EC50 | = | 2800.0 | nM | 5.55 | Cytotoxicity against human U266 cells assessed as viable cells after 72 hrs by c... | 20192247 |
| RPMI-8226 | EC50 | = | 3400.0 | nM | 5.47 | Cytotoxicity against human RPMI8226 cells assessed as viable cells after 72 hrs ... | 20192247 |
| MCF7 | EC50 | = | 4000.0 | nM | 5.4 | Cytotoxicity against human MCF7 cells assessed as viable cells after 72 hrs by c... | 20192247 |
| EMT6 | IC50 | = | 5000.0 | nM | 5.3 | Tested for 50% inhibition against EMT-6 murine mammary carcinoma cell under norm... | 8515418 |
| HeLa | EC50 | = | 6400.0 | nM | 5.19 | Cytotoxicity against human HeLa cells assessed as viable cells after 72 hrs by c... | 20192247 |
| EMT6 | IC50 | = | 7500.0 | nM | 5.12 | Tested for 50% inhibition against EMT-6 murine mammary carcinoma cell under hypo... | 8515418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1249812 | 10.1021/jm00224a022 | L1210 | 23 |
| 1249812 | 10.1021/jm00224a022 | P388 | 16 |
| 1249812 | 10.1021/jm00224a022 | NON-PROTEIN TARGET | 12 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 1249812 | 10.1021/jm00224a022 | Mus musculus | 7 |
| 1249812 | 10.1021/jm00224a022 | B16 | 7 |
| 2738880 | 10.1021/jm00127a012 | Mus musculus | 6 |
| 1249812 | 10.1021/jm00224a022 | ADMET | 5 |
| 1249812 | 10.1021/jm00224a022 | Lewis lung carcinoma cell line | 5 |
| 8515418 | 10.1021/jm00065a001 | EMT6 | 4 |
| 8576915 | 10.1021/jm9405147 | ADMET | 4 |
| 8576915 | 10.1021/jm9405147 | No relevant target | 3 |
| - | 10.1007/s00044-006-0010-4 | L1210 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 8576915 | 10.1021/jm9405147 | NON-PROTEIN TARGET | 2 |
| 8576915 | 10.1021/jm9405147 | L1210 | 2 |
| 20192247 | 10.1021/np900681y | MCF7 | 1 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] B | 1 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine