| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4753542
Max Phase: Preclinical
Molecular Formula: C27H43N3O4
Molecular Weight: 473.66
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCCC(=O)[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N(C)[C@H](C(N)=O)C(C)C
Standard InChI: InChI=1S/C27H43N3O4/c1-7-8-9-10-14-17-23(31)20(4)26(33)29(5)22(18-21-15-12-11-13-16-21)27(34)30(6)24(19(2)3)25(28)32/h11-13,15-16,19-20,22,24H,7-10,14,17-18H2,1-6H3,(H2,28,32)/t20-,22-,24+/m1/s1
Standard InChI Key: PJJCDFATQBVYMI-BKULYWANSA-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: 473.66 | Molecular Weight (Monoisotopic): 473.3254 | AlogP: 3.59 | #Rotatable Bonds: 15 |
| Polar Surface Area: 100.78 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.79 | CX Basic pKa: | CX LogP: 4.58 | CX LogD: 4.58 |
| Aromatic Rings: 1 | Heavy Atoms: 34 | QED Weighted: 0.31 | Np Likeness Score: 0.44 |
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):