| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094900
Max Phase: Preclinical
Molecular Formula: C27H29N5O2
Molecular Weight: 455.56
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(NCc1ccc2cc(CN3CCC4(CCCC4)C3)[nH]c2c1)c1cc(=O)n2ccccc2n1
Standard InChI: InChI=1S/C27H29N5O2/c33-25-15-23(30-24-5-1-4-11-32(24)25)26(34)28-16-19-6-7-20-14-21(29-22(20)13-19)17-31-12-10-27(18-31)8-2-3-9-27/h1,4-7,11,13-15,29H,2-3,8-10,12,16-18H2,(H,28,34)
Standard InChI Key: WHSKIJZPUYQDLY-UHFFFAOYSA-N
Associated Targets(Human)
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 455.56 | Molecular Weight (Monoisotopic): 455.2321 | AlogP: 3.87 | #Rotatable Bonds: 5 |
| Polar Surface Area: 82.50 | Molecular Species: BASE | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.64 | CX Basic pKa: 9.03 | CX LogP: 2.84 | CX LogD: 1.20 |
| Aromatic Rings: 4 | Heavy Atoms: 34 | QED Weighted: 0.48 | Np Likeness Score: -1.55 |
References
| 1. (2021) Polyheterocyclic compounds as mettl3 inhibitors, |
Source
Source(1):