ID: ALA1717527
Chembl Id: CHEMBL1717527
PubChem CID: 4936677
Max Phase: Preclinical
Molecular Formula: C19H19ClN2O2
Molecular Weight: 342.83
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCC1
Standard InChI: InChI=1S/C19H19ClN2O2/c20-15-9-7-14(8-10-15)13-18(23)21-17-6-2-1-5-16(17)19(24)22-11-3-4-12-22/h1-2,5-10H,3-4,11-13H2,(H,21,23)
Standard InChI Key: RAXRCJFONWFJGE-UHFFFAOYSA-N
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| 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 |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 342.83 | Molecular Weight (Monoisotopic): 342.1135 | AlogP: 3.76 | #Rotatable Bonds: 4 |
| Polar Surface Area: 49.41 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 12.89 | CX Basic pKa: ┄ | CX LogP: 4.00 | CX LogD: 4.00 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.92 | Np Likeness Score: -1.72 |
| 1. PubChem BioAssay data set, |
Source(1):
