Compound Detail
CHEMBL1432427
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Basic Information
| ChEMBL ID | CHEMBL1432427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDGUUNRSWOTADS-UHFFFAOYSA-N |
2
Targets
9
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
321.8
MW (Da)
1.70
ALogP
5
HBA
2
HBD
59.8
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.39
EC50 3 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.39 | 5.39 | 4087.8 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.12 | 5.02 | 7500.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.25 | 4.1633 | 56570.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase | IC50 | = | 4087.8 | nM | 5.39 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
| Unchecked | EC50 | = | 7500.0 | nM | 5.12 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | EC50 | = | 12040.0 | nM | 4.92 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | IC50 | = | 56570.0 | nM | 4.25 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
| Unchecked | IC50 | = | 75180.0 | nM | 4.12 | PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... | - |
| Unchecked | IC50 | = | 75690.0 | nM | 4.12 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
Data from ChEMBL 36 via Core Engine