CID-145925339
CID-145925339 is a binder of fatty acid-binding protein 4 (FABP4). CID-145925339 binds to the active site of FABP4 and forms stable interactions with key amino acid residues of this protein. Computational prediction shows that CID-145925339 inhibits FABP4, which is overexpressed in colorectal adenocarcinoma, with favorable druglike properties and no obvious toxicity. CID-145925339 can be used in studies related to colorectal adenocarcinoma.
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- CAS 番号: 1022924-71-5
- 分子式: C26H23N5O3
- 分子量:453.49
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保管条件:
Please store the product under the recommended conditions in the Certificate of Analysis.
生物活性
製品説明
体外実験
CID-145925339 binds potently to purified human FABP4 with an S score of -8.1 via multiple stable interactions with active site residues, indicating strong inhibitory potential[1].
CID-145925339 (100 ns) maintains stable binding and structural integrity with purified human FABP4, confirming the ligand's stable interaction with purified human FABP4[1].
CID-145925339 has a band energy gap of 0.35276 eV, indicating high chemical reactivity suitable for FABP4 inhibitory activity[1].
CID-145925339 exhibits favorable drug-like properties and no predicted toxicity, supporting its potential as a FABP4 inhibitor[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
化学情報
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CAS 番号 1022924-71-5
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分子量 453.49
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分子式 C26H23N5O3
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SMILES
O=C(C1CC2=C(C(C3=CC=C(OC)C(CN4N=NC5=CC=CC=C54)=C3)N1)NC6=C2C=CC=C6)O
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輸送条件
Room temperature in continental US; may vary elsewhere.
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保管条件
Please store the product under the recommended conditions in the Certificate of Analysis.
純度とドキュメンテーション
参考文献
Calculators
濃度 (開始) × 体積 (開始) = 濃度 (終了) × 体積 (終了)