| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5307654
Max Phase: Preclinical
Molecular Formula: C25H26N4O3
Molecular Weight: 430.51
Associated Items:
Representations
Canonical SMILES: Cc1cc(C(=O)N2CCN(C3CN(C(=O)c4ccc(-c5ccccc5)cc4)C3)CC2)no1
Standard InChI: InChI=1S/C25H26N4O3/c1-18-15-23(26-32-18)25(31)28-13-11-27(12-14-28)22-16-29(17-22)24(30)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-10,15,22H,11-14,16-17H2,1H3
Standard InChI Key: CVQBGUIOFAMIJK-UHFFFAOYSA-N
Associated Targets(Human)
Ceramide glucosyltransferase 308 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 430.51 | Molecular Weight (Monoisotopic): 430.2005 | AlogP: 2.93 | #Rotatable Bonds: 4 |
| Polar Surface Area: 69.89 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.02 | CX LogP: 2.70 | CX LogD: 2.70 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.64 | Np Likeness Score: -1.54 |
References
| 1. SGC Frankfurt. (2023) Data for DCP probe JNJ-42226314, [10.6019/CHEMBL5303769] |
Source
Source(1):