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AZD4625 , CAS No.A607870, Allosteric modulator of KRAS
Basic Description
| Synonyms | AZD-4625;compound 21 |
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| Specifications & Purity | Moligand™ |
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| Grade | Moligand™ |
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| Action Type | ALLOSTERIC MODULATOR |
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| Mechanism of action | Allosteric modulator of KRAS |
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Associated Targets(Human)
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| INCHI | InChI=1S/C24H21ClF2N4O3/c1-3-16(33)30-10-13-7-8-34-23-19-22(28-11-29-24(19)31(13)9-12(30)2)21(27)18(20(23)25)17-14(26)5-4-6-15(17)32/h3-6,11-13,32H,1,7-10H2,2H3/t12-,13+/m1/s1 |
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| InChi Key | KYVBBJIEKCCZTM-OLZOCXBDSA-N |
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| Canonical SMILES | C[C@@H]1CN2c3c4c(c(c(c(c4OCC[C@H]2CN1C(=O)C=C)Cl)c1c(cccc1F)O)F)ncn3 |
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| Isomeric SMILES | C[C@@H]1CN2[C@@H](CCOC3=C(C(=C(C4=C3C2=NC=N4)F)C5=C(C=CC=C5F)O)Cl)CN1C(=O)C=C |
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| PubChem CID | 146250992 |
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References
| 1. Kettle JG, Bagal SK, Bickerton S, Bodnarchuk MS, Boyd S, Breed J, Carbajo RJ, Cassar DJ, Chakraborty A, Cosulich S et al.. (2022) Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRASG12C.. J Med Chem, 71 (13): (1755-70). [PMID:35471939] [10.1021/acs.jmedchem.2c00369] |
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