| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5269626
Max Phase: Preclinical
Molecular Formula: C27H27N3O2
Molecular Weight: 425.53
Associated Items:
Representations
Canonical SMILES: CCc1ccc(-n2cnc3c(c2=N)C(c2ccccc2)C2=C(CC(C)(C)CC2=O)O3)cc1
Standard InChI: InChI=1S/C27H27N3O2/c1-4-17-10-12-19(13-11-17)30-16-29-26-24(25(30)28)22(18-8-6-5-7-9-18)23-20(31)14-27(2,3)15-21(23)32-26/h5-13,16,22,28H,4,14-15H2,1-3H3
Standard InChI Key: AKFHDYAPLXTRNJ-UHFFFAOYSA-N
Associated Targets(Human)
Homo sapiens 32628 Activities
Associated Targets(non-human)
Tyrosinase 3884 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 425.53 | Molecular Weight (Monoisotopic): 425.2103 | AlogP: 5.08 | #Rotatable Bonds: 3 |
| Polar Surface Area: 67.97 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 6.22 | CX LogP: 5.24 | CX LogD: 5.21 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.64 | Np Likeness Score: -0.64 |
References
| 1. Elattar KM, El-Khateeb AY, Hamed SE.. (2022) Insights into the recent progress in the medicinal chemistry of pyranopyrimidine analogs., 13 (5.0): [PMID:35694689] [10.1039/d2md00076h] |
Source
Source(1):