| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1222260
Max Phase: Preclinical
Molecular Formula: C11H22N2O3S
Molecular Weight: 262.37
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Leu-Met
Synonyms from Alternative Forms(1):
Canonical SMILES: CSCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)O
Standard InChI: InChI=1S/C11H22N2O3S/c1-7(2)6-8(12)10(14)13-9(11(15)16)4-5-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1
Standard InChI Key: NTISAKGPIGTIJJ-IUCAKERBSA-N
Associated Targets(non-human)
GAP1 General amino-acid permease GAP1 (481 Activities)
Molecule Features
| Natural Product: Yes | 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: 262.37 | Molecular Weight (Monoisotopic): 262.1351 | AlogP: 0.68 | #Rotatable Bonds: 8 |
| Polar Surface Area: 92.42 | Molecular Species: ACID | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.98 | CX Basic pKa: 8.43 | CX LogP: -1.47 | CX LogD: -1.51 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.60 | Np Likeness Score: -0.01 |
References
| 1. Van Zeebroeck G, Bonini BM, Versele M, Thevelein JM.. (2009) Transport and signaling via the amino acid binding site of the yeast Gap1 amino acid transceptor., 5 (1): [PMID:19060912] [10.1038/nchembio.132] |
Source
Source(1):