| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5290276
Max Phase: Preclinical
Molecular Formula: C30H24N4O5
Molecular Weight: 520.55
Associated Items:
Representations
Canonical SMILES: COc1ccc2c(-c3nc4c5c(ncn4n3)OC3=C(C(=O)CC(C)(C)C3)C5c3ccccc3)cc(=O)oc2c1
Standard InChI: InChI=1S/C30H24N4O5/c1-30(2)13-20(35)25-22(14-30)39-29-26(24(25)16-7-5-4-6-8-16)28-32-27(33-34(28)15-31-29)19-12-23(36)38-21-11-17(37-3)9-10-18(19)21/h4-12,15,24H,13-14H2,1-3H3
Standard InChI Key: CFZJVKWJMJLSDX-UHFFFAOYSA-N
Associated Targets(Human)
Homo sapiens (32628 Activities)
Associated Targets(non-human)
PPO2 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: 520.55 | Molecular Weight (Monoisotopic): 520.1747 | AlogP: 5.07 | #Rotatable Bonds: 3 |
| Polar Surface Area: 108.82 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 0 |
| #RO5 Violations: 2 | HBA (Lipinski): 9 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.78 | CX LogD: 4.78 |
| Aromatic Rings: 5 | Heavy Atoms: 39 | QED Weighted: 0.30 | Np Likeness Score: -0.74 |
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):