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ID: ALA2390985
Max Phase: Preclinical
Molecular Formula: C14H9ClFN3
Molecular Weight: 273.70
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Fc1ccc(-c2n[nH]cc2-c2ccncc2)cc1Cl
Standard InChI: InChI=1S/C14H9ClFN3/c15-12-7-10(1-2-13(12)16)14-11(8-18-19-14)9-3-5-17-6-4-9/h1-8H,(H,18,19)
Standard InChI Key: QQVNBXBVKFVKFZ-UHFFFAOYSA-N
Associated Targets(Human)
Tyrosine-protein kinase SRC 10310 Activities
Proto-oncogene tyrosine-protein kinase ROS 2436 Activities
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Ephrin type-A receptor 8 790 Activities
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Ephrin type-A receptor 5 1056 Activities
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Tyrosine-protein kinase ABL2 1851 Activities
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Tyrosine-protein kinase YES 2781 Activities
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Tyrosine-protein kinase receptor TYRO3 2906 Activities
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Non-receptor tyrosine-protein kinase TNK1 1335 Activities
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Tyrosine-protein kinase SYK 7372 Activities
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NT-3 growth factor receptor 2338 Activities
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Proto-oncogene tyrosine-protein kinase MER 2687 Activities
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Tyrosine-protein kinase CTK 763 Activities
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Leukocyte tyrosine kinase receptor 1542 Activities
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Insulin-like growth factor I receptor 8605 Activities
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Tyrosine-protein kinase HCK 2743 Activities
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Tyrosine-protein kinase FYN 5308 Activities
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Vascular endothelial growth factor receptor 3 3216 Activities
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Fibroblast growth factor receptor 3 7811 Activities
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Receptor protein-tyrosine kinase erbB-2 7851 Activities
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Ephrin type-A receptor 7 1002 Activities
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Ephrin type-A receptor 2 3499 Activities
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Ephrin type-A receptor 1 1040 Activities
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Epidermal growth factor receptor erbB1 33727 Activities
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Tyrosine-protein kinase receptor UFO 3469 Activities
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KG-1 867 Activities
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HEL 6614 Activities
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EOL1 427 Activities
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MV4-11 7307 Activities
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MOLM-13 2241 Activities
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Associated Targets(non-human)
Receptor-type tyrosine-protein kinase FLT3 28 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: 273.70 | Molecular Weight (Monoisotopic): 273.0469 | AlogP: 3.93 | #Rotatable Bonds: 2 |
| Polar Surface Area: 41.57 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.29 | CX LogP: 3.49 | CX LogD: 3.49 |
| Aromatic Rings: 3 | Heavy Atoms: 19 | QED Weighted: 0.77 | Np Likeness Score: -1.88 |
References
| 1. Pauwels D, Klaassen H, Lahortiga I, Kilonda A, Jacobs K, Sweron B, Corbau R, Chaltin P, Marchand A, Cools J.. (2013) Identification of novel FLT3 kinase inhibitors., 63 [PMID:23567961] [10.1016/j.ejmech.2013.03.024] |
Source
Source(1):