Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | IC50 | > | 100 | ug/ml | 25894905 | |
NPT165 | Cell Line | HeLa | Homo sapiens | IC50 | > | 100 | ug/ml | 25894905 |
NPT15 | Cell Line | Jurkat | Homo sapiens | IC50 | = | 20 | ug/ml | 25894905 |
NPT1198 | Organism | Magnaporthe grisea | Magnaporthe grisea | IC50 | = | 50 | ug/ml | 19489596 |
NPT116 | Cell Line | HL-60 | Homo sapiens | IC50 | = | 10 | ug/ml | 10201821 |
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 NPC99487 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 |
---|---|---|
0.9643 | High Similarity | NPC155025 |
0.9322 | High Similarity | NPC473508 |
0.918 | High Similarity | NPC311736 |
0.9167 | High Similarity | NPC300593 |
0.9032 | High Similarity | NPC163290 |
0.8966 | High Similarity | NPC226848 |
0.8814 | High Similarity | NPC122239 |
0.8525 | High Similarity | NPC225342 |
0.8525 | High Similarity | NPC68679 |
0.8525 | High Similarity | NPC207007 |
0.8525 | High Similarity | NPC321867 |
0.85 | High Similarity | NPC475931 |
0.8413 | Intermediate Similarity | NPC308844 |
0.8361 | Intermediate Similarity | NPC66020 |
0.8281 | Intermediate Similarity | NPC267027 |
0.8281 | Intermediate Similarity | NPC326310 |
0.8154 | Intermediate Similarity | NPC73603 |
0.8125 | Intermediate Similarity | NPC61503 |
0.8095 | Intermediate Similarity | NPC473759 |
0.8095 | Intermediate Similarity | NPC474155 |
0.8065 | Intermediate Similarity | NPC240506 |
0.8033 | Intermediate Similarity | NPC181872 |
0.803 | Intermediate Similarity | NPC224532 |
0.8 | Intermediate Similarity | NPC170148 |
0.8 | Intermediate Similarity | NPC202017 |
0.7971 | Intermediate Similarity | NPC190859 |
0.7941 | Intermediate Similarity | NPC472254 |
0.7931 | Intermediate Similarity | NPC68014 |
0.7879 | Intermediate Similarity | NPC477791 |
0.7879 | Intermediate Similarity | NPC114651 |
0.7833 | Intermediate Similarity | NPC232247 |
0.7833 | Intermediate Similarity | NPC329686 |
0.7833 | Intermediate Similarity | NPC148216 |
0.7833 | Intermediate Similarity | NPC251666 |
0.7833 | Intermediate Similarity | NPC130209 |
0.7833 | Intermediate Similarity | NPC148163 |
0.7833 | Intermediate Similarity | NPC227135 |
0.7826 | Intermediate Similarity | NPC275098 |
0.7797 | Intermediate Similarity | NPC474496 |
0.7761 | Intermediate Similarity | NPC305698 |
0.7761 | Intermediate Similarity | NPC167527 |
0.7761 | Intermediate Similarity | NPC471238 |
0.7705 | Intermediate Similarity | NPC48891 |
0.7705 | Intermediate Similarity | NPC24443 |
0.7692 | Intermediate Similarity | NPC309300 |
0.7681 | Intermediate Similarity | NPC23954 |
0.7681 | Intermediate Similarity | NPC477792 |
0.7671 | Intermediate Similarity | NPC86971 |
0.7647 | Intermediate Similarity | NPC329989 |
0.7647 | Intermediate Similarity | NPC90115 |
0.7647 | Intermediate Similarity | NPC74722 |
0.7647 | Intermediate Similarity | NPC239373 |
0.7647 | Intermediate Similarity | NPC217570 |
0.7647 | Intermediate Similarity | NPC473893 |
0.7647 | Intermediate Similarity | NPC304690 |
0.7647 | Intermediate Similarity | NPC471560 |
0.7627 | Intermediate Similarity | NPC35756 |
0.7612 | Intermediate Similarity | NPC259299 |
0.7612 | Intermediate Similarity | NPC82337 |
0.7612 | Intermediate Similarity | NPC136813 |
0.7576 | Intermediate Similarity | NPC19569 |
0.7576 | Intermediate Similarity | NPC471200 |
0.7571 | Intermediate Similarity | NPC220939 |
0.7571 | Intermediate Similarity | NPC265485 |
0.7538 | Intermediate Similarity | NPC211291 |
0.7538 | Intermediate Similarity | NPC133368 |
0.7538 | Intermediate Similarity | NPC83200 |
0.7538 | Intermediate Similarity | NPC279200 |
0.7536 | Intermediate Similarity | NPC34834 |
0.7536 | Intermediate Similarity | NPC4299 |
0.75 | Intermediate Similarity | NPC471081 |
0.75 | Intermediate Similarity | NPC256720 |
0.75 | Intermediate Similarity | NPC236228 |
0.75 | Intermediate Similarity | NPC24824 |
0.75 | Intermediate Similarity | NPC165651 |
0.75 | Intermediate Similarity | NPC210560 |
0.75 | Intermediate Similarity | NPC272961 |
0.75 | Intermediate Similarity | NPC96484 |
0.7467 | Intermediate Similarity | NPC52861 |
0.7463 | Intermediate Similarity | NPC272125 |
0.746 | Intermediate Similarity | NPC475830 |
0.7458 | Intermediate Similarity | NPC474495 |
0.7458 | Intermediate Similarity | NPC473672 |
0.7429 | Intermediate Similarity | NPC471272 |
0.7429 | Intermediate Similarity | NPC471662 |
0.7424 | Intermediate Similarity | NPC290367 |
0.7424 | Intermediate Similarity | NPC110241 |
0.7424 | Intermediate Similarity | NPC323424 |
0.7424 | Intermediate Similarity | NPC107540 |
0.7424 | Intermediate Similarity | NPC96793 |
0.7391 | Intermediate Similarity | NPC474248 |
0.7391 | Intermediate Similarity | NPC101622 |
0.7385 | Intermediate Similarity | NPC475251 |
0.7385 | Intermediate Similarity | NPC274704 |
0.7361 | Intermediate Similarity | NPC60818 |
0.7361 | Intermediate Similarity | NPC474885 |
0.7361 | Intermediate Similarity | NPC23231 |
0.7353 | Intermediate Similarity | NPC69649 |
0.7353 | Intermediate Similarity | NPC68703 |
0.7353 | Intermediate Similarity | NPC472253 |
0.7353 | Intermediate Similarity | NPC472255 |
0.7324 | Intermediate Similarity | NPC234527 |
0.7324 | Intermediate Similarity | NPC329763 |
0.7324 | Intermediate Similarity | NPC14352 |
0.7313 | Intermediate Similarity | NPC187619 |
0.7302 | Intermediate Similarity | NPC52012 |
0.7297 | Intermediate Similarity | NPC475980 |
0.7288 | Intermediate Similarity | NPC26960 |
0.7288 | Intermediate Similarity | NPC329773 |
0.7288 | Intermediate Similarity | NPC182102 |
0.7286 | Intermediate Similarity | NPC92801 |
0.7286 | Intermediate Similarity | NPC189745 |
0.7286 | Intermediate Similarity | NPC470041 |
0.7258 | Intermediate Similarity | NPC281590 |
0.7246 | Intermediate Similarity | NPC117804 |
0.7222 | Intermediate Similarity | NPC215050 |
0.7222 | Intermediate Similarity | NPC306727 |
0.7206 | Intermediate Similarity | NPC162309 |
0.72 | Intermediate Similarity | NPC89128 |
0.7193 | Intermediate Similarity | NPC87439 |
0.7183 | Intermediate Similarity | NPC471268 |
0.7183 | Intermediate Similarity | NPC477086 |
0.7183 | Intermediate Similarity | NPC471271 |
0.7183 | Intermediate Similarity | NPC477087 |
0.7179 | Intermediate Similarity | NPC476804 |
0.7167 | Intermediate Similarity | NPC214584 |
0.7167 | Intermediate Similarity | NPC244038 |
0.7167 | Intermediate Similarity | NPC26906 |
0.7164 | Intermediate Similarity | NPC225415 |
0.7162 | Intermediate Similarity | NPC91594 |
0.7162 | Intermediate Similarity | NPC476007 |
0.7162 | Intermediate Similarity | NPC476703 |
0.7123 | Intermediate Similarity | NPC313179 |
0.7123 | Intermediate Similarity | NPC313185 |
0.7123 | Intermediate Similarity | NPC69383 |
0.7123 | Intermediate Similarity | NPC171148 |
0.7123 | Intermediate Similarity | NPC133580 |
0.7121 | Intermediate Similarity | NPC210346 |
0.7105 | Intermediate Similarity | NPC470946 |
0.7105 | Intermediate Similarity | NPC470945 |
0.7105 | Intermediate Similarity | NPC470947 |
0.7105 | Intermediate Similarity | NPC96362 |
0.7101 | Intermediate Similarity | NPC171225 |
0.7101 | Intermediate Similarity | NPC59442 |
0.7097 | Intermediate Similarity | NPC256209 |
0.7097 | Intermediate Similarity | NPC49059 |
0.7083 | Intermediate Similarity | NPC130665 |
0.7083 | Intermediate Similarity | NPC186042 |
0.7083 | Intermediate Similarity | NPC477085 |
0.7067 | Intermediate Similarity | NPC172066 |
0.7067 | Intermediate Similarity | NPC476314 |
0.7067 | Intermediate Similarity | NPC167891 |
0.7067 | Intermediate Similarity | NPC83351 |
0.7067 | Intermediate Similarity | NPC196653 |
0.7067 | Intermediate Similarity | NPC475994 |
0.7067 | Intermediate Similarity | NPC470944 |
0.7067 | Intermediate Similarity | NPC471465 |
0.7059 | Intermediate Similarity | NPC473722 |
0.7059 | Intermediate Similarity | NPC238352 |
0.7059 | Intermediate Similarity | NPC287339 |
0.7059 | Intermediate Similarity | NPC477009 |
0.7049 | Intermediate Similarity | NPC71506 |
0.7049 | Intermediate Similarity | NPC40417 |
0.7049 | Intermediate Similarity | NPC294358 |
0.7049 | Intermediate Similarity | NPC35519 |
0.7049 | Intermediate Similarity | NPC179169 |
0.7049 | Intermediate Similarity | NPC157781 |
0.7049 | Intermediate Similarity | NPC177112 |
0.7049 | Intermediate Similarity | NPC306195 |
0.7049 | Intermediate Similarity | NPC181255 |
0.7042 | Intermediate Similarity | NPC471781 |
0.7042 | Intermediate Similarity | NPC286154 |
0.7042 | Intermediate Similarity | NPC129630 |
0.7027 | Intermediate Similarity | NPC265588 |
0.7027 | Intermediate Similarity | NPC253190 |
0.7027 | Intermediate Similarity | NPC126969 |
0.7027 | Intermediate Similarity | NPC310643 |
0.7015 | Intermediate Similarity | NPC174956 |
0.7013 | Intermediate Similarity | NPC476646 |
0.7013 | Intermediate Similarity | NPC24417 |
0.7 | Intermediate Similarity | NPC474460 |
0.7 | Intermediate Similarity | NPC208999 |
0.6986 | Remote Similarity | NPC309178 |
0.6986 | Remote Similarity | NPC471525 |
0.6986 | Remote Similarity | NPC471659 |
0.6986 | Remote Similarity | NPC201048 |
0.6986 | Remote Similarity | NPC227814 |
0.6986 | Remote Similarity | NPC476366 |
0.6986 | Remote Similarity | NPC144995 |
0.6984 | Remote Similarity | NPC84824 |
0.6984 | Remote Similarity | NPC67508 |
0.6974 | Remote Similarity | NPC98557 |
0.6974 | Remote Similarity | NPC84694 |
0.6974 | Remote Similarity | NPC47982 |
0.6974 | Remote Similarity | NPC143182 |
0.6974 | Remote Similarity | NPC476701 |
0.6974 | Remote Similarity | NPC167881 |
0.6974 | Remote Similarity | NPC109546 |
0.6974 | Remote Similarity | NPC28862 |
0.6974 | Remote Similarity | NPC81306 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC99487 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 |
---|---|---|---|
0.8525 | High Similarity | NPD368 | Approved |
0.7833 | Intermediate Similarity | NPD342 | Phase 1 |
0.7123 | Intermediate Similarity | NPD8264 | Approved |
0.6897 | Remote Similarity | NPD4265 | Approved |
0.6883 | Remote Similarity | NPD4819 | Approved |
0.6883 | Remote Similarity | NPD4822 | Approved |
0.6883 | Remote Similarity | NPD4821 | Approved |
0.6883 | Remote Similarity | NPD4820 | Approved |
0.6842 | Remote Similarity | NPD4271 | Approved |
0.6842 | Remote Similarity | NPD4268 | Approved |
0.6842 | Remote Similarity | NPD7322 | Clinical (unspecified phase) |
0.6757 | Remote Similarity | NPD6926 | Approved |
0.6757 | Remote Similarity | NPD6924 | Approved |
0.6753 | Remote Similarity | NPD6929 | Approved |
0.6711 | Remote Similarity | NPD5776 | Phase 2 |
0.6711 | Remote Similarity | NPD6925 | Approved |
0.6667 | Remote Similarity | NPD6931 | Approved |
0.6667 | Remote Similarity | NPD7514 | Phase 3 |
0.6667 | Remote Similarity | NPD6930 | Phase 2 |
0.6667 | Remote Similarity | NPD7332 | Phase 2 |
0.6667 | Remote Similarity | NPD6922 | Approved |
0.6667 | Remote Similarity | NPD6923 | Approved |
0.6667 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6625 | Remote Similarity | NPD5332 | Approved |
0.6625 | Remote Similarity | NPD5362 | Discontinued |
0.6625 | Remote Similarity | NPD5331 | Approved |
0.6623 | Remote Similarity | NPD7145 | Approved |
0.6622 | Remote Similarity | NPD4732 | Discontinued |
0.6582 | Remote Similarity | NPD6902 | Approved |
0.6582 | Remote Similarity | NPD4790 | Discontinued |
0.6579 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.6579 | Remote Similarity | NPD6933 | Approved |
0.6575 | Remote Similarity | NPD7144 | Approved |
0.6575 | Remote Similarity | NPD7143 | Approved |
0.6543 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.65 | Remote Similarity | NPD4269 | Approved |
0.65 | Remote Similarity | NPD4270 | Approved |
0.6486 | Remote Similarity | NPD7151 | Approved |
0.6486 | Remote Similarity | NPD7150 | Approved |
0.6486 | Remote Similarity | NPD7152 | Approved |
0.6456 | Remote Similarity | NPD7509 | Discontinued |
0.6447 | Remote Similarity | NPD7339 | Approved |
0.6447 | Remote Similarity | NPD6942 | Approved |
0.642 | Remote Similarity | NPD7154 | Phase 3 |
0.642 | Remote Similarity | NPD6695 | Phase 3 |
0.641 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6375 | Remote Similarity | NPD6898 | Phase 1 |
0.6364 | Remote Similarity | NPD4219 | Approved |
0.631 | Remote Similarity | NPD4751 | Clinical (unspecified phase) |
0.6282 | Remote Similarity | NPD6932 | Approved |
0.6265 | Remote Similarity | NPD5363 | Approved |
0.6265 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6265 | Remote Similarity | NPD6893 | Approved |
0.625 | Remote Similarity | NPD4252 | Approved |
0.625 | Remote Similarity | NPD7525 | Registered |
0.6232 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.619 | Remote Similarity | NPD5786 | Approved |
0.619 | Remote Similarity | NPD4249 | Approved |
0.6125 | Remote Similarity | NPD6683 | Phase 2 |
0.6125 | Remote Similarity | NPD7645 | Phase 2 |
0.6118 | Remote Similarity | NPD7524 | Approved |
0.6118 | Remote Similarity | NPD4251 | Approved |
0.6118 | Remote Similarity | NPD7750 | Discontinued |
0.6118 | Remote Similarity | NPD4250 | Approved |
0.6111 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6098 | Remote Similarity | NPD3667 | Approved |
0.6049 | Remote Similarity | NPD5368 | Approved |
0.6023 | Remote Similarity | NPD7983 | Approved |
0.5976 | Remote Similarity | NPD5369 | Approved |
0.5955 | Remote Similarity | NPD5779 | Approved |
0.5955 | Remote Similarity | NPD5778 | Approved |
0.5952 | Remote Similarity | NPD4786 | Approved |
0.5909 | Remote Similarity | NPD46 | Approved |
0.5909 | Remote Similarity | NPD7838 | Discovery |
0.5909 | Remote Similarity | NPD5785 | Approved |
0.5909 | Remote Similarity | NPD6698 | Approved |
0.5904 | Remote Similarity | NPD6435 | Approved |
0.5882 | Remote Similarity | NPD1696 | Phase 3 |
0.5843 | Remote Similarity | NPD7087 | Discontinued |
0.5843 | Remote Similarity | NPD7637 | Suspended |
0.5833 | Remote Similarity | NPD6110 | Phase 1 |
0.5811 | Remote Similarity | NPD7331 | Phase 2 |
0.5765 | Remote Similarity | NPD3133 | Approved |
0.5765 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.5765 | Remote Similarity | NPD3666 | Approved |
0.5765 | Remote Similarity | NPD3665 | Phase 1 |
0.5733 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.573 | Remote Similarity | NPD7136 | Phase 2 |
0.5714 | Remote Similarity | NPD385 | Approved |
0.5714 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD384 | Approved |
0.5696 | Remote Similarity | NPD4785 | Approved |
0.5696 | Remote Similarity | NPD4784 | Approved |
0.5684 | Remote Similarity | NPD5344 | Discontinued |
0.5663 | Remote Similarity | NPD4748 | Discontinued |
0.5652 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.5641 | Remote Similarity | NPD4243 | Approved |
0.5638 | Remote Similarity | NPD4225 | Approved |
0.5638 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.5632 | Remote Similarity | NPD3618 | Phase 1 |
0.5632 | Remote Similarity | NPD5279 | Phase 3 |
0.5618 | Remote Similarity | NPD5370 | Suspended |
0.5618 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5618 | Remote Similarity | NPD6101 | Approved |
0.5616 | Remote Similarity | NPD3210 | Clinical (unspecified phase) |
PubChem CID   | 21606666 |
ChEMBL   | CHEMBL487790 |
ZINC   |
Molecular Weight:   | 254.19 |
ALogP:   | 0.566 |
MLogP:   | 2.78 |
XLogP:   | 1.175 |
# Rotatable Bonds:   | 8 |
Polar Surface Area:   | 60.69 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 3 |
# Rings:   | 1 |
# Heavy Atoms:   | 18 |