| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3985727
Max Phase: Preclinical
Molecular Formula: C25H24FNO5
Molecular Weight: 437.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccc(Oc2ccc(F)cc2OC)cc1
Standard InChI: InChI=1S/C25H24FNO5/c1-3-14-27(16-17-4-6-19(7-5-17)25(29)30)24(28)18-8-11-21(12-9-18)32-22-13-10-20(26)15-23(22)31-2/h4-13,15H,3,14,16H2,1-2H3,(H,29,30)
Standard InChI Key: LJTQGSYFZPTOOH-UHFFFAOYSA-N
Associated Targets(Human)
Lysophosphatidic acid receptor 5 213 Activities
Lysophosphatidic acid receptor Edg-2 779 Activities
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 437.47 | Molecular Weight (Monoisotopic): 437.1639 | AlogP: 5.38 | #Rotatable Bonds: 9 |
| Polar Surface Area: 76.07 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.07 | CX Basic pKa: | CX LogP: 5.02 | CX LogD: 1.90 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.49 | Np Likeness Score: -1.22 |
References
| 1. (2016) Compounds, |
Source
Source(1):