ID: ALA3288468
Chembl Id: CHEMBL3288468
PubChem CID: 90681234
Max Phase: Preclinical
Molecular Formula: C19H25ClN2
Molecular Weight: 316.88
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CN(C)CCCCCC(c1ccc(Cl)cc1)c1ccccn1
Standard InChI: InChI=1S/C19H25ClN2/c1-22(2)15-7-3-4-8-18(19-9-5-6-14-21-19)16-10-12-17(20)13-11-16/h5-6,9-14,18H,3-4,7-8,15H2,1-2H3
Standard InChI Key: JEGXCIKLLPNDSJ-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: 316.88 | Molecular Weight (Monoisotopic): 316.1706 | AlogP: 4.99 | #Rotatable Bonds: 8 |
| Polar Surface Area: 16.13 | Molecular Species: BASE | HBA: 2 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 2 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 9.79 | CX LogP: 4.92 | CX LogD: 2.56 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.64 | Np Likeness Score: -0.94 |
| 1. Deane KJ, Summers RL, Lehane AM, Martin RE, Barrow RA.. (2014) Chlorpheniramine Analogues Reverse Chloroquine Resistance in Plasmodium falciparum by Inhibiting PfCRT., 5 (5): [PMID:24900883] [10.1021/ml5000228] |
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