| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4757572
Max Phase: Preclinical
Molecular Formula: C27H43N3O5
Molecular Weight: 489.66
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCCC(=O)CC(=O)N(C)[C@H](Cc1ccc(OC)cc1)C(=O)N(C)[C@H](C(N)=O)C(C)C
Standard InChI: InChI=1S/C27H43N3O5/c1-7-8-9-10-11-12-21(31)18-24(32)29(4)23(17-20-13-15-22(35-6)16-14-20)27(34)30(5)25(19(2)3)26(28)33/h13-16,19,23,25H,7-12,17-18H2,1-6H3,(H2,28,33)/t23-,25+/m1/s1
Standard InChI Key: MZOQPCSPRDBDPG-NOZRDPDXSA-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: 489.66 | Molecular Weight (Monoisotopic): 489.3203 | AlogP: 3.35 | #Rotatable Bonds: 16 |
| Polar Surface Area: 110.01 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.23 | CX Basic pKa: | CX LogP: 3.88 | CX LogD: 3.88 |
| Aromatic Rings: 1 | Heavy Atoms: 35 | QED Weighted: 0.28 | Np Likeness Score: 0.54 |
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):