Compound Detail
CHEMBL23355
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Basic Information
| ChEMBL ID | CHEMBL23355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYQNCGIHHJGDBO-UHFFFAOYSA-N |
5
Targets
10
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
608.1
MW (Da)
1.26
ALogP
8
HBA
3
HBD
159.1
PSA (Ų)
0.15
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| EMT6 CHEMBL614294 | IC50 | 6.92 | 5.58 | 120.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.25 | 5.13 | 560.0 | 2 |
| WiDr CHEMBL614647 | IC50 | 6.09 | 5.14 | 820.0 | 2 |
| V79 CHEMBL614074 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Modulator of drug activity A CHEMBL5502 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| EMT6 | IC50 | = | 120.0 | nM | 6.92 | Antiproliferative activity against mouse EMT6 NTRpuro cells after 18 hrs | 17326614 |
| NON-PROTEIN TARGET | IC50 | = | 560.0 | nM | 6.25 | Antiproliferative activity against human Skov3 NTRneo cells after 18 hrs | 17326614 |
| WiDr | IC50 | = | 820.0 | nM | 6.09 | Antiproliferative activity against human WiDr NTRneo cells after 18 hrs | 17326614 |
| V79 | IC50 | = | 1000.0 | nM | 6.0 | Antiproliferative activity against chinese hamster V79 NTRpuro cells after 18 hr... | 17326614 |
| Modulator of drug activity A | IC50 | = | 1900.0 | nM | 5.72 | Cytotoxicity in T79-A3 (NR-positive) cell lines | 9111301 |
| EMT6 | IC50 | = | 58000.0 | nM | 4.24 | Antiproliferative activity against mouse wild type EMT6 NTR-ve cells after 18 hr... | 17326614 |
| WiDr | IC50 | = | 64000.0 | nM | 4.19 | Antiproliferative activity against human wild type WiDr NTR-ve cells after 18 hr... | 17326614 |
| NON-PROTEIN TARGET | IC50 | = | 97000.0 | nM | 4.01 | Antiproliferative activity against human wild type Skov3 NTR-ve cells after 18 h... | 17326614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17326614 | 10.1021/jm061062o | V79 | 6 |
| 17326614 | 10.1021/jm061062o | EMT6 | 4 |
| 17326614 | 10.1021/jm061062o | WiDr | 4 |
| 17326614 | 10.1021/jm061062o | No relevant target | 3 |
| 9111301 | 10.1021/jm960794l | Modulator of drug activity A | 2 |
| 17326614 | 10.1021/jm061062o | NON-PROTEIN TARGET | 2 |
| 9111301 | 10.1021/jm960794l | T78-1 | 1 |
| 9111301 | 10.1021/jm960794l | T78-1/T79-A3 | 1 |
| 17326614 | 10.1021/jm061062o | Unchecked | 1 |
| 17326614 | 10.1021/jm061062o | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine