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ID: ALA3732736
Max Phase: Preclinical
Molecular Formula: C14H11Cl3N4O
Molecular Weight: 357.63
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(CNc1cccc(Cl)c1)N/N=C/c1c(Cl)cncc1Cl
Standard InChI: InChI=1S/C14H11Cl3N4O/c15-9-2-1-3-10(4-9)19-8-14(22)21-20-5-11-12(16)6-18-7-13(11)17/h1-7,19H,8H2,(H,21,22)/b20-5+
Standard InChI Key: SGPKBJQYKUQGKV-DENHBWNVSA-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: 357.63 | Molecular Weight (Monoisotopic): 355.9998 | AlogP: 3.60 | #Rotatable Bonds: 5 |
| Polar Surface Area: 66.38 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.69 | CX Basic pKa: 1.64 | CX LogP: 2.85 | CX LogD: 2.85 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.63 | Np Likeness Score: -2.14 |
References
| 1. (2007) Hydrazide compounds, |
Source
Source(1):