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AZD-4547
ID: ALA3184679
Max Phase: Phase
Molecular Formula: C26H33N5O3
Molecular Weight: 463.58
Molecule Type: Small molecule
Associated Items:
ID: ALA3184679
Max Phase: Phase
Molecular Formula: C26H33N5O3
Molecular Weight: 463.58
Molecule Type: Small molecule
Associated Items:
Synonyms (7): Azd 4547 | Azd-4547 | Azd4547 | ABSK-091 | ABSK091 | AZD-4547 | KB-74810
Synonyms from Alternative Forms(7):
Canonical SMILES: COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1
Standard InChI: InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)
Standard InChI Key: VRQMAABPASPXMW-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 |
---|
Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Molecular Weight: 463.58 | Molecular Weight (Monoisotopic): 463.2583 | AlogP: 3.65 | #Rotatable Bonds: 8 |
Polar Surface Area: 91.51 | Molecular Species: BASE | HBA: 6 | HBD: 3 |
#RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
CX Acidic pKa: | CX Basic pKa: 9.02 | CX LogP: 4.35 | CX LogD: 2.73 |
Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.47 | Np Likeness Score: -0.80 |
1. Unpublished dataset, |
2. Klaeger S, Heinzlmeir S and Wilhelm M et al. (2017) The target landscape of clinical kinase drugs., 358 (6367): [PMID:29191878] [10.1126/science.aan4368] |
Source(2):