Table 3 PASS parameters of the selected hit molecules.
S. no. | Compound | Pa | Pi | Activity |
|---|---|---|---|---|
1. | IMPHY003143 | 0.849 | 0.010 | Antieczematic |
0.828 | 0.009 | Antineoplastic | ||
0.598 | 0.027 | Apoptosis agonist | ||
0.549 | 0.011 | Antileukemic | ||
0.460 | 0.038 | Analeptic | ||
2. | IMPHY002447 | 0.900 | 0.004 | Respiratory analeptic |
0.896 | 0.004 | Acylcarnitine hydrolase inhibitor | ||
0.872 | 0.004 | Alkylacetylglycerophosphatase inhibitor | ||
0.814 | 0.016 | Alkenylglycerophosphocholine hydrolase inhibitor | ||
0.801 | 0.005 | Analeptic | ||
3. | IMPHY001309 | 0.873 | 0.005 | Antineoplastic |
0.583 | 0.006 | Antimetastatic | ||
0.454 | 0.017 | Antineoplastic (lung cancer) | ||
0.370 | 0.007 | Antineoplastic (renal cancer) | ||
0.370 | 0.031 | Antileukemic | ||
4. | IMPHY008834 | 0.930 | 0.005 | Antineoplastic |
0.497 | 0.020 | Antimetastatic | ||
0.484 | 0.015 | Antineoplastic (lung cancer) | ||
0.481 | 0.045 | Antineoplastic (non-Hodgkin’s lymphoma) | ||
0.404 | 0.025 | Antileukemic | ||
5. | IMPHY008964 | 0.922 | 0.005 | Antineoplastic |
0.751 | 0.005 | Antileukemic | ||
0.628 | 0.008 | Antineoplastic (lung cancer) | ||
0.572 | 0.011 | Chemopreventive | ||
0.554 | 0.032 | Apoptosis agonist | ||
6. | IMPHY005187 | 0.923 | 0.005 | Antineoplastic |
0.679 | 0.017 | Apoptosis agonist | ||
0.594 | 0.011 | Angiogenesis inhibitor | ||
0.522 | 0.015 | Antimetastatic | ||
0.482 | 0.015 | Antineoplastic (lung cancer) | ||
7. | IMPHY005148 | 0.787 | 0.013 | Antineoplastic |
0.728 | 0.005 | Antileukemic | ||
0.537 | 0.034 | Apoptosis agonist | ||
0.402 | 0.023 | Antineoplastic (lung cancer) | ||
0.401 | 0.046 | Antimetastatic | ||
8. | IMPHY009120 | 0.957 | 0.004 | Antineoplastic |
0.898 | 0.004 | Antileukemic | ||
0.786 | 0.004 | Antineoplastic (lung cancer) | ||
0.607 | 0.010 | Chemopreventive | ||
0.599 | 0.026 | Apoptosis agonist | ||
9. | Venetoclax | 0.413 | 0.003 | Bcl2 antagonist |
0.412 | 0.021 | Antineoplastic (multiple myeloma) | ||
0.276 | 0.037 | Antineoplastic enhancer | ||
0.281 | 0.044 | Antineoplastic (small cell lung cancer) | ||
0.205 | 0.002 | Bcl-xL inhibitor |
