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ID: ALA3729247
Max Phase: Preclinical
Molecular Formula: C16H15Cl2N5O2
Molecular Weight: 380.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CNC(=O)c1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1
Standard InChI: InChI=1S/C16H15Cl2N5O2/c1-19-16(25)10-3-2-4-11(5-10)21-9-15(24)23-22-6-12-13(17)7-20-8-14(12)18/h2-8,21H,9H2,1H3,(H,19,25)(H,23,24)/b22-6+
Standard InChI Key: NDSSSMYGJDDEPB-GEVRCRHISA-N
Associated Targets(Human)
GRK6 Tchem G protein-coupled receptor kinase 6 (1545 Activities)
GRK5 Tchem G protein-coupled receptor kinase 5 (1126 Activities)
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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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Associated Targets(non-human)
GRK2 Protein-serine/threonine kinase (9 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
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Properties
| Molecular Weight: 380.24 | Molecular Weight (Monoisotopic): 379.0603 | AlogP: 2.31 | #Rotatable Bonds: 6 |
| Polar Surface Area: 95.48 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.69 | CX Basic pKa: 1.50 | CX LogP: 1.32 | CX LogD: 1.32 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.53 | Np Likeness Score: -2.00 |
References
| 1. (2007) Hydrazide compounds, |
Source
Source(1):