| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4465758
Max Phase: Preclinical
Molecular Formula: C22H28N2O4
Molecular Weight: 384.48
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc2c(cc1OC)-c1c(OC)c(OC)c(CN)c3c1[C@H](C2)N(C)CC3
Standard InChI: InChI=1S/C22H28N2O4/c1-24-7-6-13-15(11-23)21(27-4)22(28-5)20-14-10-18(26-3)17(25-2)9-12(14)8-16(24)19(13)20/h9-10,16H,6-8,11,23H2,1-5H3/t16-/m0/s1
Standard InChI Key: ZDLYJHVQGJQEFG-INIZCTEOSA-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: 384.48 | Molecular Weight (Monoisotopic): 384.2049 | AlogP: 2.93 | #Rotatable Bonds: 5 |
| Polar Surface Area: 66.18 | Molecular Species: BASE | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.65 | CX LogP: 2.20 | CX LogD: 0.81 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.86 | Np Likeness Score: 1.13 |
References
| 1. (2014) Boldine derivatives for promoting bone growth, |
Source
Source(1):