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Table 1 Five most and least active Acridine containing heterocycles against Human TERT enzyme (organized according to EC50 values)

From: QSAR, pharmacophore modeling and molecular docking studies to identify structural alerts for some nitrogen heterocycles as dual inhibitor of telomerase reverse transcriptase and human telomeric G-quadruplex DNA

Molecular Id S n Smiles notation EC50 PEC50
CHEMBL187966 82 Nc1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3ccc(NC(=O)CCN4CCCC4)cc23)cc1 8.699 8.699
CHEMBL507478 81 NCCC1CCCN1c1c2ccc(NC(=O)CCN3CCCC3)cc2nc2cc(NC(=O)CCN3CCCC3)ccc12 7.745 7.745
CHEMBL140180 80 CN(C)CCNc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2cc(NC(=O)CCN3CCCC3)ccc12 7.745 7.745
CHEMBL345035 79 Nc1ccccc1Nc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2cc(NC(=O)CCN3CCCC3)ccc12 7.699 7.699
CHEMBL4463229 78 Nc1ccccc1Nc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2ccc(NC(=O)CCN3CCCC3)cc12 7.678 7.678
CHEMBL343795 5 CN(C)c1ccc(Nc2c3ccc(NC(=O)CCCCCN4CCCC4)cc3nc3cc(NC(=O)CCCCCN4CCCC4)ccc23)cc1 5.161 5.161
CHEMBL186489 4 O=C(CCN1CCCC1)Nc1ccc2c(O)c3ccc(NC(=O)CCN4CCCC4)cc3nc2c1 5.092 5.092
CHEMBL453704 3 O=C(CCN1CCCC1)Nc1ccc(-n2cc(-c3cccc(-c4cn(-c5ccc(NC(=O)CCN6CCCC6)cc5)nn4)c3)nn2)cc1 4.876 4.876
CHEMBL4526267 2 O=C(CCN1CCCCC1)Nc1ccc(-n2cc(-c3cccc(-c4cn(-c5ccc(NC(=O)CCN6CCCCC6)cc5)nn4)c3)nn2)cc1 4.767 4.767
CHEMBL397768 1 CCN(CC)CCC(=O)Nc1ccc(-n2cc(-c3cccc(-c4cn(-c5ccc(NC(=O)CCN(CC)CC)cc5)nn4)c3)nn2)cc1 4.629 4.629