| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2262499
Max Phase: Preclinical
Molecular Formula: C27H26N2O4
Molecular Weight: 442.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COCc1ccc2oc(-c3oc4cccc(OCCNCc5cccnc5)c4c3C)cc2c1
Standard InChI: InChI=1S/C27H26N2O4/c1-18-26-23(31-12-11-29-16-20-5-4-10-28-15-20)6-3-7-24(26)33-27(18)25-14-21-13-19(17-30-2)8-9-22(21)32-25/h3-10,13-15,29H,11-12,16-17H2,1-2H3
Standard InChI Key: YKLANSZIVSOQJC-UHFFFAOYSA-N
Associated Targets(non-human)
Peptide N-myristoyltransferase 1 193 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: 442.52 | Molecular Weight (Monoisotopic): 442.1893 | AlogP: 5.86 | #Rotatable Bonds: 9 |
| Polar Surface Area: 69.66 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 8.47 | CX LogP: 4.15 | CX LogD: 3.05 |
| Aromatic Rings: 5 | Heavy Atoms: 33 | QED Weighted: 0.29 | Np Likeness Score: -0.48 |
References
| 1. Deokar HS, Puranik P, Kulkarni VM. (2009) QSAR analysis of N-myristoyltransferase inhibitors: antifungal activity of benzofurans, 18 (3): [10.1007/s00044-008-9120-5] |
Source
Source(1):