| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4757926
Max Phase: Preclinical
Molecular Formula: C28H47N3O4
Molecular Weight: 489.70
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCCC[C@@H](C)C(=O)N(C)[C@H](Cc1ccc(OC)cc1)C(=O)N(C)[C@H](C(N)=O)C(C)C
Standard InChI: InChI=1S/C28H47N3O4/c1-8-9-10-11-12-13-14-21(4)27(33)30(5)24(19-22-15-17-23(35-7)18-16-22)28(34)31(6)25(20(2)3)26(29)32/h15-18,20-21,24-25H,8-14,19H2,1-7H3,(H2,29,32)/t21-,24-,25+/m1/s1
Standard InChI Key: MDRIKJBHLMQZRC-SDUSCBPUSA-N
Associated Targets(non-human)
MC3T3-E1 421 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: 489.70 | Molecular Weight (Monoisotopic): 489.3567 | AlogP: 4.42 | #Rotatable Bonds: 16 |
| Polar Surface Area: 92.94 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.09 | CX LogD: 5.09 |
| Aromatic Rings: 1 | Heavy Atoms: 35 | QED Weighted: 0.35 | Np Likeness Score: 0.51 |
References
| 1. Natsume N,Ozaki K,Nakajima D,Yokoshima S,Teruya T. (2020) Structure-Activity Relationship Study of Majusculamides A and B and Their Analogues on Osteogenic Activity., 83 (8.0): [PMID:32786886] [10.1021/acs.jnatprod.0c00441] |
Source
Source(1):