| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5272197
Max Phase: Preclinical
Molecular Formula: C24H22O5
Molecular Weight: 390.44
Associated Items:
Representations
Canonical SMILES: Cc1cc(=O)c2c(OCCCO)cc(OCc3ccc4ccccc4c3)cc2o1
Standard InChI: InChI=1S/C24H22O5/c1-16-11-21(26)24-22(27-10-4-9-25)13-20(14-23(24)29-16)28-15-17-7-8-18-5-2-3-6-19(18)12-17/h2-3,5-8,11-14,25H,4,9-10,15H2,1H3
Standard InChI Key: NOBJBOZVNKTCOK-UHFFFAOYSA-N
Associated Targets(Human)
Raji 5516 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: 390.44 | Molecular Weight (Monoisotopic): 390.1467 | AlogP: 4.59 | #Rotatable Bonds: 7 |
| Polar Surface Area: 68.90 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.64 | CX LogD: 3.64 |
| Aromatic Rings: 4 | Heavy Atoms: 29 | QED Weighted: 0.47 | Np Likeness Score: 0.42 |
References
| 1. Puri S, Juvale K.. (2020) Monocarboxylate transporter 1 and 4 inhibitors as potential therapeutics for treating solid tumours: A review with structure-activity relationship insights., 199 [PMID:32388280] [10.1016/j.ejmech.2020.112393] |
Source
Source(1):