| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3697000
Max Phase: Preclinical
Molecular Formula: C23H25N5O5
Molecular Weight: 451.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CNc1ccc(-c2ccc(C(=O)N(C)C(C(=O)NO)C(=O)NCc3cc(C)on3)cc2)cc1
Standard InChI: InChI=1S/C23H25N5O5/c1-14-12-19(27-33-14)13-25-21(29)20(22(30)26-32)28(3)23(31)17-6-4-15(5-7-17)16-8-10-18(24-2)11-9-16/h4-12,20,24,32H,13H2,1-3H3,(H,25,29)(H,26,30)
Standard InChI Key: BGPCZAAVQPQUDG-UHFFFAOYSA-N
Associated Targets(non-human)
UDP-3-O-acyl-GlcNAc deacetylase 700 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 451.48 | Molecular Weight (Monoisotopic): 451.1856 | AlogP: 1.95 | #Rotatable Bonds: 8 |
| Polar Surface Area: 136.80 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.64 | CX Basic pKa: 4.42 | CX LogP: 0.84 | CX LogD: 0.82 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.23 | Np Likeness Score: -1.21 |
References
| 1. (2015) Hydroxamic acid derivative, |
Source
Source(1):