| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
LINDBLADIONE
ID: ALA565404
Max Phase: Preclinical
Molecular Formula: C16H14O6
Molecular Weight: 302.28
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Lindbladione
Synonyms from Alternative Forms(1):
Canonical SMILES: CCCC(=O)/C=C/C1=C(O)C(=O)c2cc(O)c(O)cc2C1=O
Standard InChI: InChI=1S/C16H14O6/c1-2-3-8(17)4-5-9-14(20)10-6-12(18)13(19)7-11(10)16(22)15(9)21/h4-7,18-19,21H,2-3H2,1H3/b5-4+
Standard InChI Key: OLFBLDMRYIIOJS-SNAWJCMRSA-N
Associated Targets(non-human)
Transcription factor HES-1 13 Activities
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 |
|---|
Properties
| Molecular Weight: 302.28 | Molecular Weight (Monoisotopic): 302.0790 | AlogP: 2.21 | #Rotatable Bonds: 4 |
| Polar Surface Area: 111.90 | Molecular Species: ACID | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.69 | CX Basic pKa: | CX LogP: 1.81 | CX LogD: -0.19 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.58 | Np Likeness Score: 1.19 |
References
| 1. Arai MA, Masada A, Ohtsuka T, Kageyama R, Ishibashi M.. (2009) The first Hes1 dimer inhibitors from natural products., 19 (19): [PMID:19716294] [10.1016/j.bmcl.2009.07.146] |
Source
Source(1):