| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3414950
Max Phase: Preclinical
Molecular Formula: C8H20NO3P
Molecular Weight: 209.23
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCC(CCC)C(N)P(=O)(O)O
Standard InChI: InChI=1S/C8H20NO3P/c1-3-5-7(6-4-2)8(9)13(10,11)12/h7-8H,3-6,9H2,1-2H3,(H2,10,11,12)
Standard InChI Key: PERCJHHIZBJKQX-UHFFFAOYSA-N
Associated Targets(Human)
Methionine aminopeptidase 1 614 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: 209.23 | Molecular Weight (Monoisotopic): 209.1181 | AlogP: 1.67 | #Rotatable Bonds: 6 |
| Polar Surface Area: 83.55 | Molecular Species: ZWITTERION | HBA: 2 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: -0.24 | CX Basic pKa: 10.30 | CX LogP: 0.03 | CX LogD: -0.55 |
| Aromatic Rings: 0 | Heavy Atoms: 13 | QED Weighted: 0.58 | Np Likeness Score: 0.62 |
References
| 1. Arya T, Reddi R, Kishor C, Ganji RJ, Bhukya S, Gumpena R, McGowan S, Drag M, Addlagatta A.. (2015) Identification of the molecular basis of inhibitor selectivity between the human and streptococcal type I methionine aminopeptidases., 58 (5): [PMID:25699713] [10.1021/jm501790e] |
Source
Source(1):