ID: ALA3732620
Chembl Id: CHEMBL3732620
PubChem CID: 56848399
Max Phase: Preclinical
Molecular Formula: C18H11Cl2N3O2S
Molecular Weight: 404.28
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1nc2cc(Cl)c(-c3cnc(NC(=O)c4ccccc4Cl)s3)cc2o1
Standard InChI: InChI=1S/C18H11Cl2N3O2S/c1-9-22-14-7-13(20)11(6-15(14)25-9)16-8-21-18(26-16)23-17(24)10-4-2-3-5-12(10)19/h2-8H,1H3,(H,21,23,24)
Standard InChI Key: IHGGCZBQXGPQNY-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: 404.28 | Molecular Weight (Monoisotopic): 402.9949 | AlogP: 5.82 | #Rotatable Bonds: 3 |
| Polar Surface Area: 68.02 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.14 | CX Basic pKa: 0.70 | CX LogP: 4.73 | CX LogD: 4.73 |
| Aromatic Rings: 4 | Heavy Atoms: 26 | QED Weighted: 0.47 | Np Likeness Score: -1.86 |
| 1. (2012) Compounds that modulate intracellular calcium, |
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