| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2386851
Max Phase: Preclinical
Molecular Formula: C24H23N11O
Molecular Weight: 481.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1nc([C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)c2nnc[nH]2)cn2c(-c3ccc(-c4ncc[nH]4)nc3)cnc12
Standard InChI: InChI=1S/C24H23N11O/c25-20-23-29-10-19(13-1-4-17(28-9-13)21-26-5-6-27-21)34(23)11-18(32-20)14-7-15-2-3-16(8-14)35(15)24(36)22-30-12-31-33-22/h1,4-6,9-12,14-16H,2-3,7-8H2,(H2,25,32)(H,26,27)(H,30,31,33)/t14-,15-,16+
Standard InChI Key: ORFHOOYRQSXWRQ-PHZGNYQRSA-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: 481.52 | Molecular Weight (Monoisotopic): 481.2087 | AlogP: 2.43 | #Rotatable Bonds: 4 |
| Polar Surface Area: 159.66 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 12 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.01 | CX Basic pKa: 3.60 | CX LogP: -0.53 | CX LogD: -0.54 |
| Aromatic Rings: 5 | Heavy Atoms: 36 | QED Weighted: 0.35 | Np Likeness Score: -0.96 |
References
| 1. Rosse G.. (2013) Imidazopyrazine Derivatives As Inhibitors of mTOR., 4 (6): [PMID:24900697] [10.1021/ml400139e] |
Source
Source(1):