ID: ALA4469371
Chembl Id: CHEMBL4469371
PubChem CID: 155533753
Max Phase: Preclinical
Molecular Formula: C15H26O7
Molecular Weight: 318.37
Molecule Type: Unknown
Associated Items:
Canonical SMILES: CC1(C)O[C@H]2CC[C@@H]1CC2OC1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
Standard InChI: InChI=1S/C15H26O7/c1-15(2)7-3-4-8(22-15)9(5-7)20-14-13(19)12(18)11(17)10(6-16)21-14/h7-14,16-19H,3-6H2,1-2H3/t7-,8+,9?,10+,11+,12-,13+,14?/m1/s1
Standard InChI Key: JJKASVIWTBPVIC-RFHNWBKUSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 318.37 | Molecular Weight (Monoisotopic): 318.1679 | AlogP: -0.85 | #Rotatable Bonds: 3 |
| Polar Surface Area: 108.61 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.21 | CX Basic pKa: | CX LogP: -0.78 | CX LogD: -0.78 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.54 | Np Likeness Score: 2.73 |
| 1. (2015) Synaptojanin-2 inhibitors and uses thereof, |
Source(1):
