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ID: ALA3729970
Max Phase: Preclinical
Molecular Formula: C15H14Cl2N4OS
Molecular Weight: 369.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CSc1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1
Standard InChI: InChI=1S/C15H14Cl2N4OS/c1-23-11-4-2-3-10(5-11)19-9-15(22)21-20-6-12-13(16)7-18-8-14(12)17/h2-8,19H,9H2,1H3,(H,21,22)/b20-6+
Standard InChI Key: RPBKUXXUYPWIPS-CGOBSMCZSA-N
Associated Targets(Human)
GRK5 Tchem G protein-coupled receptor kinase 5 (1126 Activities)
GRK3 Tchem Beta-adrenergic receptor kinase 2 (257 Activities)
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GRK2 Tchem G-protein coupled receptor kinase 2 (1019 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: 369.28 | Molecular Weight (Monoisotopic): 368.0265 | AlogP: 3.67 | #Rotatable Bonds: 6 |
| Polar Surface Area: 66.38 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.69 | CX Basic pKa: 1.77 | CX LogP: 2.87 | CX LogD: 2.87 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.46 | Np Likeness Score: -2.23 |
References
| 1. (2007) Hydrazide compounds, |
Source
Source(1):