ID: ALA2074747
Chembl Id: CHEMBL2074747
PubChem CID: 21591997
Max Phase: Preclinical
Molecular Formula: C11H23NO3
Molecular Weight: 217.31
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CC[N+](CC)(CC)CC(O)CCC(=O)[O-]
Standard InChI: InChI=1S/C11H23NO3/c1-4-12(5-2,6-3)9-10(13)7-8-11(14)15/h10,13H,4-9H2,1-3H3
Standard InChI Key: HLNHYDXQCJDPGW-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 217.31 | Molecular Weight (Monoisotopic): 217.1678 | AlogP: -0.25 | #Rotatable Bonds: 8 |
| Polar Surface Area: 60.36 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.59 | CX Basic pKa: | CX LogP: -3.53 | CX LogD: -2.76 |
| Aromatic Rings: 0 | Heavy Atoms: 15 | QED Weighted: 0.57 | Np Likeness Score: 0.24 |
| 1. Enomoto A, Wempe MF, Tsuchida H, Shin HJ, Cha SH, Anzai N, Goto A, Sakamoto A, Niwa T, Kanai Y, Anders MW, Endou H.. (2002) Molecular identification of a novel carnitine transporter specific to human testis. Insights into the mechanism of carnitine recognition., 277 (1): [PMID:12089149] [10.1074/jbc.m203883200] |
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