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ID: ALA3197441
Max Phase: Preclinical
Molecular Formula: C14H17Cl2N3O
Molecular Weight: 314.22
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(CN1CCCCC1)N/N=C/c1ccc(Cl)cc1Cl
Standard InChI: InChI=1S/C14H17Cl2N3O/c15-12-5-4-11(13(16)8-12)9-17-18-14(20)10-19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7,10H2,(H,18,20)/b17-9+
Standard InChI Key: LZNFYZFHHJVRJZ-RQZCQDPDSA-N
Associated Targets(Human)
GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 21853 Activities
Parathyroid hormone receptor 47172 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 314.22 | Molecular Weight (Monoisotopic): 313.0749 | AlogP: 2.93 | #Rotatable Bonds: 4 |
| Polar Surface Area: 44.70 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.70 | CX Basic pKa: 7.30 | CX LogP: 3.06 | CX LogD: 2.81 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.69 | Np Likeness Score: -2.38 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):