Compound Detail
CHEMBL1609
MANDELIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1609 |
| Name | MANDELIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWYDHOAUDWTVEP-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
5
Known Names
1
Indications
Molecular Properties
152.2
MW (Da)
0.80
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Indications
Bacterial Infections
ATC Classification
B05CA06
mandelic acid
Level 1: BLOOD AND BLOOD FORMING ORGANS
Level 2: BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
J01XX06
mandelic acid
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
IC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| OPM-2 CHEMBL2366353 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| OPM-2 | IC50 | = | 19.0 | nM | 7.72 | Cytotoxicity against human OPM-2 cells assessed as cell viability | 33333396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29655609 | 10.1016/j.bmc.2018.02.043 | Unchecked | 4 |
| 29655609 | 10.1016/j.bmc.2018.02.043 | Metallo-beta-lactamase type 2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 17682095 | 10.1128/aac.00392-07 | Unchecked | 1 |
| 19520580 | 10.1016/j.bmc.2009.05.042 | Histone deacetylase | 1 |
| 10417314 | 10.1042/0264-6021:3410529 | Monocarboxylate transporter 2 | 1 |
| 10417314 | 10.1042/0264-6021:3410529 | Monocarboxylate transporter 1 | 1 |
| 22873824 | 10.1021/np300345j | Indoleamine 2,3-dioxygenase 1 | 1 |
| 458816 | 10.1021/jm00192a002 | Unchecked | 1 |
| 33333396 | 10.1016/j.ejmech.2020.113038 | OPM-2 | 1 |
Data from ChEMBL 36 via Core Engine