| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA421619
Max Phase: Preclinical
Molecular Formula: C11H14O4
Molecular Weight: 210.23
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C/C=C/C1=C(CO)[C@H](OC)[C@H]2O[C@H]2C1=O
Standard InChI: InChI=1S/C11H14O4/c1-3-4-6-7(5-12)9(14-2)11-10(15-11)8(6)13/h3-4,9-12H,5H2,1-2H3/b4-3+/t9-,10-,11+/m0/s1
Standard InChI Key: FPXWGJKSEYTKLI-MPZJWQKYSA-N
Associated Targets(Human)
SKW 6.4 75 Activities
Jurkat 10389 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
|---|
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: 210.23 | Molecular Weight (Monoisotopic): 210.0892 | AlogP: 0.22 | #Rotatable Bonds: 3 |
| Polar Surface Area: 59.06 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 0.31 | CX LogD: 0.31 |
| Aromatic Rings: 0 | Heavy Atoms: 15 | QED Weighted: 0.68 | Np Likeness Score: 2.34 |
References
| 1. Kakeya H, Miyake Y, Shoji M, Kishida S, Hayashi Y, Kataoka T, Osada H.. (2003) Novel non-peptide inhibitors targeting death receptor-mediated apoptosis., 13 (21): [PMID:14552771] [10.1016/j.bmcl.2003.08.003] |
Source
Source(1):