| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2386855
Max Phase: Preclinical
Molecular Formula: C26H26N6O2
Molecular Weight: 454.53
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1nc([C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)CO)cn2c(-c3ccc(-c4ccccc4)nc3)cnc12
Standard InChI: InChI=1S/C26H26N6O2/c27-25-26-29-13-23(17-6-9-21(28-12-17)16-4-2-1-3-5-16)31(26)14-22(30-25)18-10-19-7-8-20(11-18)32(19)24(34)15-33/h1-6,9,12-14,18-20,33H,7-8,10-11,15H2,(H2,27,30)/t18-,19-,20+
Standard InChI Key: XRWVHPKHEAIWOF-OWZKRDHZSA-N
Associated Targets(Human)
mTORC1 330 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 454.53 | Molecular Weight (Monoisotopic): 454.2117 | AlogP: 3.27 | #Rotatable Bonds: 4 |
| Polar Surface Area: 109.64 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.63 | CX Basic pKa: 3.83 | CX LogP: 1.24 | CX LogD: 1.24 |
| Aromatic Rings: 4 | Heavy Atoms: 34 | QED Weighted: 0.49 | Np Likeness Score: -0.58 |
References
| 1. Rosse G.. (2013) Imidazopyrazine Derivatives As Inhibitors of mTOR., 4 (6): [PMID:24900697] [10.1021/ml400139e] |
Source
Source(1):