| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5078147
Max Phase: Preclinical
Molecular Formula: C25H26N8
Molecular Weight: 438.54
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: c1cc(-c2cn(Cc3cc4[nH]c(CN5CCC6(CCC6)C5)cc4cn3)nn2)c2cncn2c1
Standard InChI: InChI=1S/C25H26N8/c1-3-21(24-12-26-17-32(24)7-1)23-15-33(30-29-23)14-19-10-22-18(11-27-19)9-20(28-22)13-31-8-6-25(16-31)4-2-5-25/h1,3,7,9-12,15,17,28H,2,4-6,8,13-14,16H2
Standard InChI Key: CBNZWKBFWWIQQN-UHFFFAOYSA-N
Associated Targets(Human)
METTL3 Tbio METTL3/METTL14 (156 Activities)
Kasumi 1 (420 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Caov-3 cell line (328 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 438.54 | Molecular Weight (Monoisotopic): 438.2280 | AlogP: 3.89 | #Rotatable Bonds: 5 |
| Polar Surface Area: 79.93 | Molecular Species: BASE | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.84 | CX Basic pKa: 8.68 | CX LogP: 2.17 | CX LogD: 0.57 |
| Aromatic Rings: 5 | Heavy Atoms: 33 | QED Weighted: 0.45 | Np Likeness Score: -1.32 |
References
| 1. (2021) Polyheterocyclic compounds as mettl3 inhibitors, |
Source
Source(1):