Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Inhibition | < | 50 | % | 8389875 | |
NPT24 | Organism | Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | = | 30500 | nM | 10.1039/C3MD00097D |
NPT71 | Cell Line | HEK293 | Homo sapiens | IC50 | > | 60000 | nM | 10.1039/C3MD00097D |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
●  The left chart: Distribution of similarity level between NPC472254 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
0.9265 | High Similarity | NPC4299 |
0.9118 | High Similarity | NPC101622 |
0.8784 | High Similarity | NPC86971 |
0.8732 | High Similarity | NPC477085 |
0.8592 | High Similarity | NPC477087 |
0.8592 | High Similarity | NPC477086 |
0.8514 | High Similarity | NPC84360 |
0.8451 | Intermediate Similarity | NPC473361 |
0.8451 | Intermediate Similarity | NPC329904 |
0.8289 | Intermediate Similarity | NPC325869 |
0.8289 | Intermediate Similarity | NPC89128 |
0.8267 | Intermediate Similarity | NPC476439 |
0.8182 | Intermediate Similarity | NPC155025 |
0.8133 | Intermediate Similarity | NPC469880 |
0.8077 | Intermediate Similarity | NPC112868 |
0.8077 | Intermediate Similarity | NPC52861 |
0.806 | Intermediate Similarity | NPC122239 |
0.8052 | Intermediate Similarity | NPC477088 |
0.8052 | Intermediate Similarity | NPC471537 |
0.8052 | Intermediate Similarity | NPC242767 |
0.8028 | Intermediate Similarity | NPC472266 |
0.8026 | Intermediate Similarity | NPC262747 |
0.8026 | Intermediate Similarity | NPC40049 |
0.8 | Intermediate Similarity | NPC476804 |
0.7971 | Intermediate Similarity | NPC473508 |
0.7941 | Intermediate Similarity | NPC99487 |
0.7922 | Intermediate Similarity | NPC471465 |
0.7922 | Intermediate Similarity | NPC196653 |
0.7922 | Intermediate Similarity | NPC209135 |
0.7922 | Intermediate Similarity | NPC474816 |
0.7901 | Intermediate Similarity | NPC255307 |
0.7895 | Intermediate Similarity | NPC256720 |
0.7895 | Intermediate Similarity | NPC236228 |
0.7879 | Intermediate Similarity | NPC96663 |
0.7875 | Intermediate Similarity | NPC472473 |
0.7875 | Intermediate Similarity | NPC23748 |
0.7875 | Intermediate Similarity | NPC42476 |
0.7875 | Intermediate Similarity | NPC231601 |
0.7848 | Intermediate Similarity | NPC475944 |
0.7848 | Intermediate Similarity | NPC474894 |
0.7848 | Intermediate Similarity | NPC315731 |
0.7838 | Intermediate Similarity | NPC316185 |
0.7838 | Intermediate Similarity | NPC477084 |
0.7821 | Intermediate Similarity | NPC139712 |
0.7808 | Intermediate Similarity | NPC269841 |
0.7808 | Intermediate Similarity | NPC151481 |
0.7805 | Intermediate Similarity | NPC475461 |
0.7805 | Intermediate Similarity | NPC305475 |
0.7794 | Intermediate Similarity | NPC475931 |
0.7792 | Intermediate Similarity | NPC116177 |
0.7792 | Intermediate Similarity | NPC315394 |
0.7792 | Intermediate Similarity | NPC7563 |
0.7792 | Intermediate Similarity | NPC320630 |
0.7778 | Intermediate Similarity | NPC191476 |
0.7778 | Intermediate Similarity | NPC114979 |
0.7778 | Intermediate Similarity | NPC474776 |
0.7778 | Intermediate Similarity | NPC96259 |
0.7778 | Intermediate Similarity | NPC141193 |
0.7763 | Intermediate Similarity | NPC329852 |
0.7746 | Intermediate Similarity | NPC308844 |
0.7722 | Intermediate Similarity | NPC474739 |
0.7703 | Intermediate Similarity | NPC469660 |
0.7683 | Intermediate Similarity | NPC471494 |
0.7683 | Intermediate Similarity | NPC35933 |
0.7683 | Intermediate Similarity | NPC261380 |
0.7671 | Intermediate Similarity | NPC305698 |
0.7671 | Intermediate Similarity | NPC272961 |
0.7662 | Intermediate Similarity | NPC476317 |
0.7662 | Intermediate Similarity | NPC68819 |
0.7662 | Intermediate Similarity | NPC477202 |
0.7662 | Intermediate Similarity | NPC271070 |
0.7662 | Intermediate Similarity | NPC61863 |
0.7654 | Intermediate Similarity | NPC473390 |
0.7654 | Intermediate Similarity | NPC161045 |
0.7654 | Intermediate Similarity | NPC311070 |
0.7654 | Intermediate Similarity | NPC40746 |
0.7654 | Intermediate Similarity | NPC474809 |
0.7654 | Intermediate Similarity | NPC49208 |
0.7654 | Intermediate Similarity | NPC472377 |
0.7654 | Intermediate Similarity | NPC169575 |
0.7654 | Intermediate Similarity | NPC131669 |
0.7647 | Intermediate Similarity | NPC226848 |
0.7647 | Intermediate Similarity | NPC469368 |
0.7639 | Intermediate Similarity | NPC311736 |
0.7632 | Intermediate Similarity | NPC315843 |
0.7625 | Intermediate Similarity | NPC325031 |
0.7625 | Intermediate Similarity | NPC184208 |
0.7625 | Intermediate Similarity | NPC24417 |
0.7625 | Intermediate Similarity | NPC8538 |
0.7619 | Intermediate Similarity | NPC476805 |
0.7619 | Intermediate Similarity | NPC476803 |
0.7606 | Intermediate Similarity | NPC34883 |
0.7606 | Intermediate Similarity | NPC300593 |
0.76 | Intermediate Similarity | NPC129665 |
0.7595 | Intermediate Similarity | NPC167881 |
0.7595 | Intermediate Similarity | NPC55304 |
0.7595 | Intermediate Similarity | NPC98557 |
0.7595 | Intermediate Similarity | NPC226226 |
0.759 | Intermediate Similarity | NPC329692 |
0.759 | Intermediate Similarity | NPC311163 |
0.759 | Intermediate Similarity | NPC116575 |
0.7571 | Intermediate Similarity | NPC55376 |
0.7564 | Intermediate Similarity | NPC477203 |
0.7561 | Intermediate Similarity | NPC158756 |
0.7561 | Intermediate Similarity | NPC82297 |
0.7561 | Intermediate Similarity | NPC186155 |
0.7561 | Intermediate Similarity | NPC78673 |
0.7561 | Intermediate Similarity | NPC160517 |
0.7534 | Intermediate Similarity | NPC259299 |
0.7534 | Intermediate Similarity | NPC163290 |
0.7532 | Intermediate Similarity | NPC113639 |
0.7531 | Intermediate Similarity | NPC85772 |
0.7531 | Intermediate Similarity | NPC89555 |
0.7531 | Intermediate Similarity | NPC471298 |
0.7531 | Intermediate Similarity | NPC229825 |
0.7531 | Intermediate Similarity | NPC323251 |
0.7529 | Intermediate Similarity | NPC474032 |
0.75 | Intermediate Similarity | NPC282760 |
0.75 | Intermediate Similarity | NPC474765 |
0.75 | Intermediate Similarity | NPC313658 |
0.75 | Intermediate Similarity | NPC316138 |
0.75 | Intermediate Similarity | NPC312561 |
0.747 | Intermediate Similarity | NPC470755 |
0.747 | Intermediate Similarity | NPC11804 |
0.747 | Intermediate Similarity | NPC471795 |
0.7468 | Intermediate Similarity | NPC267231 |
0.7468 | Intermediate Similarity | NPC127526 |
0.7468 | Intermediate Similarity | NPC108816 |
0.7468 | Intermediate Similarity | NPC93763 |
0.7465 | Intermediate Similarity | NPC217940 |
0.7442 | Intermediate Similarity | NPC78973 |
0.7439 | Intermediate Similarity | NPC474193 |
0.7439 | Intermediate Similarity | NPC471297 |
0.7439 | Intermediate Similarity | NPC12283 |
0.7439 | Intermediate Similarity | NPC16488 |
0.7439 | Intermediate Similarity | NPC477667 |
0.7439 | Intermediate Similarity | NPC44261 |
0.7439 | Intermediate Similarity | NPC116543 |
0.7436 | Intermediate Similarity | NPC12740 |
0.7436 | Intermediate Similarity | NPC301525 |
0.7436 | Intermediate Similarity | NPC235906 |
0.7436 | Intermediate Similarity | NPC279537 |
0.7436 | Intermediate Similarity | NPC110461 |
0.7432 | Intermediate Similarity | NPC474823 |
0.7432 | Intermediate Similarity | NPC276290 |
0.7432 | Intermediate Similarity | NPC224532 |
0.7432 | Intermediate Similarity | NPC310210 |
0.7429 | Intermediate Similarity | NPC19241 |
0.7412 | Intermediate Similarity | NPC474629 |
0.7412 | Intermediate Similarity | NPC472378 |
0.7412 | Intermediate Similarity | NPC260343 |
0.7407 | Intermediate Similarity | NPC159148 |
0.7403 | Intermediate Similarity | NPC107654 |
0.7403 | Intermediate Similarity | NPC474758 |
0.7403 | Intermediate Similarity | NPC471525 |
0.7403 | Intermediate Similarity | NPC470686 |
0.7391 | Intermediate Similarity | NPC181872 |
0.7381 | Intermediate Similarity | NPC61527 |
0.7381 | Intermediate Similarity | NPC315395 |
0.7381 | Intermediate Similarity | NPC316426 |
0.7381 | Intermediate Similarity | NPC150755 |
0.7381 | Intermediate Similarity | NPC469910 |
0.7375 | Intermediate Similarity | NPC470239 |
0.7375 | Intermediate Similarity | NPC470244 |
0.7375 | Intermediate Similarity | NPC100906 |
0.7375 | Intermediate Similarity | NPC321728 |
0.7361 | Intermediate Similarity | NPC329698 |
0.7349 | Intermediate Similarity | NPC70424 |
0.7349 | Intermediate Similarity | NPC243618 |
0.7349 | Intermediate Similarity | NPC471302 |
0.7349 | Intermediate Similarity | NPC102048 |
0.7349 | Intermediate Similarity | NPC474865 |
0.7349 | Intermediate Similarity | NPC31086 |
0.7349 | Intermediate Similarity | NPC126518 |
0.7342 | Intermediate Similarity | NPC283619 |
0.7342 | Intermediate Similarity | NPC107668 |
0.7342 | Intermediate Similarity | NPC473756 |
0.7342 | Intermediate Similarity | NPC474760 |
0.7333 | Intermediate Similarity | NPC475004 |
0.7333 | Intermediate Similarity | NPC329989 |
0.7333 | Intermediate Similarity | NPC74722 |
0.7333 | Intermediate Similarity | NPC304690 |
0.7333 | Intermediate Similarity | NPC239373 |
0.7326 | Intermediate Similarity | NPC474396 |
0.7326 | Intermediate Similarity | NPC50488 |
0.7326 | Intermediate Similarity | NPC20946 |
0.7326 | Intermediate Similarity | NPC212598 |
0.7326 | Intermediate Similarity | NPC246028 |
0.7324 | Intermediate Similarity | NPC225342 |
0.7317 | Intermediate Similarity | NPC474291 |
0.7308 | Intermediate Similarity | NPC155587 |
0.7297 | Intermediate Similarity | NPC193029 |
0.7297 | Intermediate Similarity | NPC473357 |
0.7297 | Intermediate Similarity | NPC114651 |
0.7294 | Intermediate Similarity | NPC166857 |
0.7294 | Intermediate Similarity | NPC131329 |
0.7294 | Intermediate Similarity | NPC199382 |
0.7284 | Intermediate Similarity | NPC472470 |
0.7284 | Intermediate Similarity | NPC281880 |
0.7284 | Intermediate Similarity | NPC233332 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC472254 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.7746 | Intermediate Similarity | NPD2685 | Clinical (unspecified phase) |
0.75 | Intermediate Similarity | NPD5790 | Clinical (unspecified phase) |
0.747 | Intermediate Similarity | NPD6082 | Clinical (unspecified phase) |
0.7439 | Intermediate Similarity | NPD7154 | Phase 3 |
0.7439 | Intermediate Similarity | NPD5362 | Discontinued |
0.7349 | Intermediate Similarity | NPD6400 | Clinical (unspecified phase) |
0.7284 | Intermediate Similarity | NPD4819 | Approved |
0.7284 | Intermediate Similarity | NPD4821 | Approved |
0.7284 | Intermediate Similarity | NPD4820 | Approved |
0.7284 | Intermediate Similarity | NPD4822 | Approved |
0.725 | Intermediate Similarity | NPD4268 | Approved |
0.725 | Intermediate Similarity | NPD4271 | Approved |
0.725 | Intermediate Similarity | NPD5784 | Clinical (unspecified phase) |
0.7229 | Intermediate Similarity | NPD5332 | Approved |
0.7229 | Intermediate Similarity | NPD5331 | Approved |
0.7195 | Intermediate Similarity | NPD4790 | Discontinued |
0.7108 | Intermediate Similarity | NPD4270 | Approved |
0.7108 | Intermediate Similarity | NPD4269 | Approved |
0.7083 | Intermediate Similarity | NPD368 | Approved |
0.7073 | Intermediate Similarity | NPD4252 | Approved |
0.7045 | Intermediate Similarity | NPD7838 | Discovery |
0.7045 | Intermediate Similarity | NPD6698 | Approved |
0.7045 | Intermediate Similarity | NPD5785 | Approved |
0.7045 | Intermediate Similarity | NPD46 | Approved |
0.6977 | Remote Similarity | NPD5786 | Approved |
0.6966 | Remote Similarity | NPD7637 | Suspended |
0.6944 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6897 | Remote Similarity | NPD4251 | Approved |
0.6897 | Remote Similarity | NPD4250 | Approved |
0.6892 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.6889 | Remote Similarity | NPD5778 | Approved |
0.6889 | Remote Similarity | NPD5779 | Approved |
0.6875 | Remote Similarity | NPD8264 | Approved |
0.686 | Remote Similarity | NPD5363 | Approved |
0.6786 | Remote Similarity | NPD5369 | Approved |
0.6782 | Remote Similarity | NPD4249 | Approved |
0.6778 | Remote Similarity | NPD7983 | Approved |
0.6737 | Remote Similarity | NPD5344 | Discontinued |
0.6706 | Remote Similarity | NPD6435 | Approved |
0.6702 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6702 | Remote Similarity | NPD4225 | Approved |
0.6667 | Remote Similarity | NPD4792 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD8039 | Approved |
0.6632 | Remote Similarity | NPD7640 | Approved |
0.6632 | Remote Similarity | NPD7639 | Approved |
0.6627 | Remote Similarity | NPD7322 | Clinical (unspecified phase) |
0.6618 | Remote Similarity | NPD6927 | Phase 3 |
0.6556 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.6556 | Remote Similarity | NPD6101 | Approved |
0.6526 | Remote Similarity | NPD7638 | Approved |
0.6512 | Remote Similarity | NPD5209 | Approved |
0.6506 | Remote Similarity | NPD5776 | Phase 2 |
0.6506 | Remote Similarity | NPD6925 | Approved |
0.6489 | Remote Similarity | NPD7839 | Suspended |
0.6479 | Remote Similarity | NPD342 | Phase 1 |
0.6477 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.6471 | Remote Similarity | NPD7514 | Phase 3 |
0.6471 | Remote Similarity | NPD5368 | Approved |
0.6471 | Remote Similarity | NPD7332 | Phase 2 |
0.6458 | Remote Similarity | NPD6648 | Approved |
0.6456 | Remote Similarity | NPD6922 | Approved |
0.6456 | Remote Similarity | NPD6923 | Approved |
0.6437 | Remote Similarity | NPD6695 | Phase 3 |
0.6429 | Remote Similarity | NPD7145 | Approved |
0.6413 | Remote Similarity | NPD6411 | Approved |
0.641 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.6395 | Remote Similarity | NPD6902 | Approved |
0.6383 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.6375 | Remote Similarity | NPD7144 | Approved |
0.6375 | Remote Similarity | NPD7143 | Approved |
0.6374 | Remote Similarity | NPD5370 | Suspended |
0.6374 | Remote Similarity | NPD6051 | Approved |
0.6364 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.6364 | Remote Similarity | NPD4265 | Approved |
0.6353 | Remote Similarity | NPD6929 | Approved |
0.6341 | Remote Similarity | NPD6926 | Approved |
0.6341 | Remote Similarity | NPD6924 | Approved |
0.6322 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.6296 | Remote Similarity | NPD7150 | Approved |
0.6296 | Remote Similarity | NPD7152 | Approved |
0.6296 | Remote Similarity | NPD7151 | Approved |
0.6279 | Remote Similarity | NPD6931 | Approved |
0.6279 | Remote Similarity | NPD6930 | Phase 2 |
0.6237 | Remote Similarity | NPD4810 | Clinical (unspecified phase) |
0.6234 | Remote Similarity | NPD3197 | Phase 1 |
0.6214 | Remote Similarity | NPD6371 | Approved |
0.6207 | Remote Similarity | NPD6898 | Phase 1 |
0.619 | Remote Similarity | NPD6933 | Approved |
0.6184 | Remote Similarity | NPD4194 | Approved |
0.6184 | Remote Similarity | NPD4191 | Approved |
0.6184 | Remote Similarity | NPD4192 | Approved |
0.6184 | Remote Similarity | NPD4193 | Approved |
0.617 | Remote Similarity | NPD6399 | Phase 3 |
0.6154 | Remote Similarity | NPD7524 | Approved |
0.6154 | Remote Similarity | NPD7750 | Discontinued |
0.6118 | Remote Similarity | NPD6932 | Approved |
0.6111 | Remote Similarity | NPD1694 | Approved |
0.6078 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.6071 | Remote Similarity | NPD7339 | Approved |
0.6071 | Remote Similarity | NPD6942 | Approved |
0.6067 | Remote Similarity | NPD6110 | Phase 1 |
0.6044 | Remote Similarity | NPD6422 | Discontinued |
0.6024 | Remote Similarity | NPD4732 | Discontinued |
0.6022 | Remote Similarity | NPD1695 | Approved |
0.6019 | Remote Similarity | NPD6686 | Approved |
0.6 | Remote Similarity | NPD5766 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD6109 | Phase 1 |
0.6 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD7632 | Discontinued |
0.6 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD4786 | Approved |
0.5977 | Remote Similarity | NPD6683 | Phase 2 |
0.5977 | Remote Similarity | NPD7645 | Phase 2 |
0.5955 | Remote Similarity | NPD3667 | Approved |
0.5946 | Remote Similarity | NPD4219 | Approved |
0.5943 | Remote Similarity | NPD6053 | Discontinued |
0.5941 | Remote Similarity | NPD6647 | Phase 2 |
0.5938 | Remote Similarity | NPD7748 | Approved |
0.5934 | Remote Similarity | NPD6893 | Approved |
0.593 | Remote Similarity | NPD4756 | Discovery |
0.5909 | Remote Similarity | NPD7509 | Discontinued |
0.5895 | Remote Similarity | NPD7515 | Phase 2 |
0.5895 | Remote Similarity | NPD7087 | Discontinued |
0.589 | Remote Similarity | NPD4266 | Approved |
0.589 | Remote Similarity | NPD3196 | Approved |
0.589 | Remote Similarity | NPD3194 | Approved |
0.589 | Remote Similarity | NPD3195 | Phase 2 |
0.5875 | Remote Similarity | NPD7331 | Phase 2 |
0.5872 | Remote Similarity | NPD7115 | Discovery |
0.587 | Remote Similarity | NPD7334 | Approved |
0.587 | Remote Similarity | NPD6684 | Approved |
0.587 | Remote Similarity | NPD5330 | Approved |
0.587 | Remote Similarity | NPD7146 | Approved |
0.587 | Remote Similarity | NPD6409 | Approved |
0.587 | Remote Similarity | NPD7521 | Approved |
0.581 | Remote Similarity | NPD6413 | Approved |
0.5806 | Remote Similarity | NPD4751 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.5758 | Remote Similarity | NPD6084 | Phase 2 |
0.5758 | Remote Similarity | NPD7902 | Approved |
0.5758 | Remote Similarity | NPD6083 | Phase 2 |
0.5753 | Remote Similarity | NPD3172 | Approved |
0.5745 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.5745 | Remote Similarity | NPD6903 | Approved |
0.573 | Remote Similarity | NPD7525 | Registered |
0.573 | Remote Similarity | NPD8259 | Clinical (unspecified phase) |
0.5727 | Remote Similarity | NPD7505 | Discontinued |
0.5714 | Remote Similarity | NPD5343 | Approved |
0.5714 | Remote Similarity | NPD3198 | Approved |
0.5682 | Remote Similarity | NPD3732 | Approved |
0.5673 | Remote Similarity | NPD6640 | Phase 3 |
0.567 | Remote Similarity | NPD5781 | Clinical (unspecified phase) |
0.5664 | Remote Similarity | NPD8517 | Approved |
0.5664 | Remote Similarity | NPD8513 | Phase 3 |
0.5664 | Remote Similarity | NPD8516 | Approved |
0.5664 | Remote Similarity | NPD8515 | Approved |
0.5652 | Remote Similarity | NPD39 | Approved |
0.5652 | Remote Similarity | NPD3133 | Approved |
0.5652 | Remote Similarity | NPD3665 | Phase 1 |
0.5652 | Remote Similarity | NPD3666 | Approved |
0.5634 | Remote Similarity | NPD4220 | Pre-registration |
0.5634 | Remote Similarity | NPD3173 | Approved |
0.5631 | Remote Similarity | NPD5738 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD7136 | Phase 2 |
0.5607 | Remote Similarity | NPD6420 | Discontinued |
PubChem CID   | |
ChEMBL   | CHEMBL3355404 |
ZINC   |
Molecular Weight:   | 348.27 |
ALogP:   | 3.6544 |
MLogP:   | 3.55 |
XLogP:   | 5.396 |
# Rotatable Bonds:   | 13 |
Polar Surface Area:   | 46.53 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 1 |
# Rings:   | 1 |
# Heavy Atoms:   | 25 |