| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5285878
Max Phase: Preclinical
Molecular Formula: C19H12O7
Molecular Weight: 352.30
Associated Items:
Representations
Canonical SMILES: O=c1ccc2ccc(Cc3c(O)c4cc(O)c(O)cc4oc3=O)cc2o1
Standard InChI: InChI=1S/C19H12O7/c20-13-7-11-16(8-14(13)21)26-19(24)12(18(11)23)5-9-1-2-10-3-4-17(22)25-15(10)6-9/h1-4,6-8,20-21,23H,5H2
Standard InChI Key: BIILNDNTRBMXPU-UHFFFAOYSA-N
Associated Targets(Human)
DNA polymerase beta 23632 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 352.30 | Molecular Weight (Monoisotopic): 352.0583 | AlogP: 2.61 | #Rotatable Bonds: 2 |
| Polar Surface Area: 121.11 | Molecular Species: ACID | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.00 | CX Basic pKa: | CX LogP: 2.21 | CX LogD: -0.14 |
| Aromatic Rings: 4 | Heavy Atoms: 26 | QED Weighted: 0.37 | Np Likeness Score: 0.90 |
References
| 1. Faisal M, Saeed A, Shahzad D, Fattah TA, Lal B, Channar PA, Mahar J, Saeed S, Mahesar PA, Larik FA.. (2017) Enzyme inhibitory activities an insight into the structure-Activity relationship of biscoumarin derivatives., 141 [PMID:29032032] [10.1016/j.ejmech.2017.10.009] |
Source
Source(1):