| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4797535
Max Phase: Preclinical
Molecular Formula: C30H49N3O5
Molecular Weight: 531.74
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCC(=O)[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/C30H49N3O5/c1-8-9-10-11-12-13-14-15-26(34)22(4)29(36)32(5)25(20-23-16-18-24(38-7)19-17-23)30(37)33(6)27(21(2)3)28(31)35/h16-19,21-22,25,27H,8-15,20H2,1-7H3,(H2,31,35)/t22-,25-,27+/m1/s1
Standard InChI Key: UCBFZXBZZPUZLC-JBBQQGGESA-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: 531.74 | Molecular Weight (Monoisotopic): 531.3672 | AlogP: 4.38 | #Rotatable Bonds: 18 |
| Polar Surface Area: 110.01 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.79 | CX Basic pKa: | CX LogP: 5.31 | CX LogD: 5.31 |
| Aromatic Rings: 1 | Heavy Atoms: 38 | QED Weighted: 0.22 | Np Likeness Score: 0.40 |
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):