| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4462260
Max Phase: Preclinical
Molecular Formula: C21H24N2O6
Molecular Weight: 400.43
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc2c(cc1OC)-c1c(OC)c(OC)c([N+](=O)[O-])c3c1[C@H](C2)N(C)CC3
Standard InChI: InChI=1S/C21H24N2O6/c1-22-7-6-12-17-14(22)8-11-9-15(26-2)16(27-3)10-13(11)18(17)20(28-4)21(29-5)19(12)23(24)25/h9-10,14H,6-8H2,1-5H3/t14-/m0/s1
Standard InChI Key: GHNKQXUBBRYYOC-AWEZNQCLSA-N
Associated Targets(Human)
Sclerostin 23 Activities
Molecule Features
| 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 |
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: 400.43 | Molecular Weight (Monoisotopic): 400.1634 | AlogP: 3.38 | #Rotatable Bonds: 5 |
| Polar Surface Area: 83.30 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.30 | CX LogP: 3.01 | CX LogD: 2.98 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.56 | Np Likeness Score: 0.72 |
References
| 1. (2014) Boldine derivatives for promoting bone growth, |
Source
Source(1):