| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4524178
Max Phase: Preclinical
Molecular Formula: C29H37N3O9
Molecular Weight: 571.63
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCC[C@@H](C(=O)NCNC(=O)c1cc(C(=O)O)cc(-c2cc(OCC)cc(C(=O)O)c2)c1)[C@@H](CC)N(O)C=O
Standard InChI: InChI=1S/C29H37N3O9/c1-4-7-8-9-24(25(5-2)32(40)17-33)27(35)31-16-30-26(34)20-10-18(11-21(13-20)28(36)37)19-12-22(29(38)39)15-23(14-19)41-6-3/h10-15,17,24-25,40H,4-9,16H2,1-3H3,(H,30,34)(H,31,35)(H,36,37)(H,38,39)/t24-,25-/m1/s1
Standard InChI Key: IOPZBZVVVAVYCY-JWQCQUIFSA-N
Associated Targets(Human)
Bone morphogenetic protein 1 1282 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: 571.63 | Molecular Weight (Monoisotopic): 571.2530 | AlogP: 3.77 | #Rotatable Bonds: 17 |
| Polar Surface Area: 182.57 | Molecular Species: ACID | HBA: 7 | HBD: 5 |
| #RO5 Violations: 1 | HBA (Lipinski): 12 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 3.48 | CX Basic pKa: | CX LogP: 3.68 | CX LogD: -2.91 |
| Aromatic Rings: 2 | Heavy Atoms: 41 | QED Weighted: 0.06 | Np Likeness Score: -0.10 |
References
| 1. (2017) Hydroxy formamide derivatives and their use, |
Source
Source(1):