Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | IC50 | = | 35 | ug/ml | 19596873 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 40 | ug/ml | 19596873 |
NPT375 | Cell Line | Malme-3M | Homo sapiens | IC50 | = | 40 | ug/ml | 20961138 |
NPT387 | Cell Line | M14 | Homo sapiens | IC50 | = | 40 | ug/ml | 20961138 |
NPT374 | Cell Line | SF-539 | Homo sapiens | IC50 | = | 35 | ug/ml | 20961138 |
NPT399 | Cell Line | SF-295 | Homo sapiens | IC50 | = | 35 | ug/ml | 22758788 |
NPT2 | Others | Unspecified | IC50 | > | 100 | ug/ml | 22758788 | |
NPT383 | Cell Line | SNB-19 | Homo sapiens | IC50 | = | 45 | ug/ml | 22758788 |
NPT372 | Cell Line | HOP-92 | Homo sapiens | IC50 | = | 45 | ug/ml | 14987067 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 40 | ug/ml | 19185486 |
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 NPC52667 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 |
---|---|---|
0.8358 | Intermediate Similarity | NPC270042 |
0.8194 | Intermediate Similarity | NPC477857 |
0.7867 | Intermediate Similarity | NPC474228 |
0.7867 | Intermediate Similarity | NPC303613 |
0.7778 | Intermediate Similarity | NPC107704 |
0.7778 | Intermediate Similarity | NPC96812 |
0.7778 | Intermediate Similarity | NPC189917 |
0.7778 | Intermediate Similarity | NPC168824 |
0.7778 | Intermediate Similarity | NPC39462 |
0.7778 | Intermediate Similarity | NPC43300 |
0.7763 | Intermediate Similarity | NPC159497 |
0.7763 | Intermediate Similarity | NPC255021 |
0.7733 | Intermediate Similarity | NPC305501 |
0.7733 | Intermediate Similarity | NPC223187 |
0.7692 | Intermediate Similarity | NPC475932 |
0.7632 | Intermediate Similarity | NPC251705 |
0.76 | Intermediate Similarity | NPC159577 |
0.76 | Intermediate Similarity | NPC307176 |
0.76 | Intermediate Similarity | NPC251929 |
0.76 | Intermediate Similarity | NPC2634 |
0.76 | Intermediate Similarity | NPC265782 |
0.76 | Intermediate Similarity | NPC282593 |
0.76 | Intermediate Similarity | NPC35734 |
0.7568 | Intermediate Similarity | NPC20610 |
0.7564 | Intermediate Similarity | NPC69408 |
0.7532 | Intermediate Similarity | NPC474797 |
0.7532 | Intermediate Similarity | NPC474796 |
0.7532 | Intermediate Similarity | NPC329866 |
0.7532 | Intermediate Similarity | NPC309852 |
0.75 | Intermediate Similarity | NPC115023 |
0.75 | Intermediate Similarity | NPC234707 |
0.75 | Intermediate Similarity | NPC90965 |
0.75 | Intermediate Similarity | NPC54123 |
0.7468 | Intermediate Similarity | NPC74685 |
0.7467 | Intermediate Similarity | NPC139397 |
0.7467 | Intermediate Similarity | NPC182815 |
0.7436 | Intermediate Similarity | NPC293803 |
0.7436 | Intermediate Similarity | NPC255650 |
0.7403 | Intermediate Similarity | NPC470045 |
0.7403 | Intermediate Similarity | NPC470044 |
0.7375 | Intermediate Similarity | NPC228911 |
0.7368 | Intermediate Similarity | NPC260040 |
0.7368 | Intermediate Similarity | NPC40574 |
0.7368 | Intermediate Similarity | NPC214770 |
0.7368 | Intermediate Similarity | NPC477856 |
0.7361 | Intermediate Similarity | NPC472306 |
0.7273 | Intermediate Similarity | NPC470078 |
0.7273 | Intermediate Similarity | NPC5701 |
0.7246 | Intermediate Similarity | NPC143597 |
0.7246 | Intermediate Similarity | NPC151464 |
0.7222 | Intermediate Similarity | NPC475795 |
0.72 | Intermediate Similarity | NPC475523 |
0.7195 | Intermediate Similarity | NPC474509 |
0.7125 | Intermediate Similarity | NPC469793 |
0.7125 | Intermediate Similarity | NPC469796 |
0.7101 | Intermediate Similarity | NPC184819 |
0.7073 | Intermediate Similarity | NPC170793 |
0.7073 | Intermediate Similarity | NPC471475 |
0.7067 | Intermediate Similarity | NPC323005 |
0.7067 | Intermediate Similarity | NPC176171 |
0.7037 | Intermediate Similarity | NPC212661 |
0.7037 | Intermediate Similarity | NPC106078 |
0.7037 | Intermediate Similarity | NPC91665 |
0.7037 | Intermediate Similarity | NPC471035 |
0.7027 | Intermediate Similarity | NPC473902 |
0.7027 | Intermediate Similarity | NPC212210 |
0.7024 | Intermediate Similarity | NPC472239 |
0.7015 | Intermediate Similarity | NPC274182 |
0.7013 | Intermediate Similarity | NPC256846 |
0.7 | Intermediate Similarity | NPC473171 |
0.6986 | Remote Similarity | NPC60565 |
0.6977 | Remote Similarity | NPC8571 |
0.6974 | Remote Similarity | NPC176107 |
0.6962 | Remote Similarity | NPC474488 |
0.6957 | Remote Similarity | NPC53245 |
0.6957 | Remote Similarity | NPC288296 |
0.6951 | Remote Similarity | NPC115515 |
0.6951 | Remote Similarity | NPC63020 |
0.6951 | Remote Similarity | NPC470052 |
0.6951 | Remote Similarity | NPC82635 |
0.6951 | Remote Similarity | NPC469996 |
0.6941 | Remote Similarity | NPC175410 |
0.6941 | Remote Similarity | NPC472740 |
0.6941 | Remote Similarity | NPC41539 |
0.6923 | Remote Similarity | NPC151045 |
0.6923 | Remote Similarity | NPC246722 |
0.6914 | Remote Similarity | NPC20466 |
0.6892 | Remote Similarity | NPC165695 |
0.6892 | Remote Similarity | NPC32285 |
0.6883 | Remote Similarity | NPC188292 |
0.6883 | Remote Similarity | NPC260474 |
0.6867 | Remote Similarity | NPC192744 |
0.6867 | Remote Similarity | NPC201459 |
0.6867 | Remote Similarity | NPC118987 |
0.6867 | Remote Similarity | NPC215843 |
0.686 | Remote Similarity | NPC181743 |
0.686 | Remote Similarity | NPC16287 |
0.686 | Remote Similarity | NPC178025 |
0.686 | Remote Similarity | NPC320801 |
0.6857 | Remote Similarity | NPC200258 |
0.6849 | Remote Similarity | NPC25853 |
0.6842 | Remote Similarity | NPC92327 |
0.6835 | Remote Similarity | NPC474562 |
0.6835 | Remote Similarity | NPC190035 |
0.6829 | Remote Similarity | NPC66105 |
0.6829 | Remote Similarity | NPC470557 |
0.6824 | Remote Similarity | NPC3511 |
0.6824 | Remote Similarity | NPC258153 |
0.6824 | Remote Similarity | NPC476458 |
0.6824 | Remote Similarity | NPC100297 |
0.6824 | Remote Similarity | NPC320514 |
0.6824 | Remote Similarity | NPC142253 |
0.6824 | Remote Similarity | NPC469804 |
0.6824 | Remote Similarity | NPC469805 |
0.6824 | Remote Similarity | NPC472867 |
0.6806 | Remote Similarity | NPC30215 |
0.68 | Remote Similarity | NPC469662 |
0.6795 | Remote Similarity | NPC286814 |
0.679 | Remote Similarity | NPC469803 |
0.6786 | Remote Similarity | NPC164999 |
0.6786 | Remote Similarity | NPC469798 |
0.6786 | Remote Similarity | NPC472478 |
0.6786 | Remote Similarity | NPC170038 |
0.6786 | Remote Similarity | NPC469797 |
0.6782 | Remote Similarity | NPC472940 |
0.6782 | Remote Similarity | NPC94531 |
0.6782 | Remote Similarity | NPC29447 |
0.6782 | Remote Similarity | NPC123319 |
0.6782 | Remote Similarity | NPC11711 |
0.6782 | Remote Similarity | NPC60350 |
0.6782 | Remote Similarity | NPC311702 |
0.6782 | Remote Similarity | NPC472931 |
0.6782 | Remote Similarity | NPC76518 |
0.6765 | Remote Similarity | NPC236623 |
0.6761 | Remote Similarity | NPC474105 |
0.6757 | Remote Similarity | NPC213152 |
0.6757 | Remote Similarity | NPC97322 |
0.6753 | Remote Similarity | NPC220210 |
0.6753 | Remote Similarity | NPC20181 |
0.675 | Remote Similarity | NPC279241 |
0.6747 | Remote Similarity | NPC321690 |
0.6744 | Remote Similarity | NPC469561 |
0.6744 | Remote Similarity | NPC3856 |
0.6744 | Remote Similarity | NPC474790 |
0.6744 | Remote Similarity | NPC279639 |
0.6744 | Remote Similarity | NPC271784 |
0.6744 | Remote Similarity | NPC474976 |
0.6716 | Remote Similarity | NPC247786 |
0.6716 | Remote Similarity | NPC258672 |
0.6716 | Remote Similarity | NPC293343 |
0.6712 | Remote Similarity | NPC259261 |
0.6711 | Remote Similarity | NPC251118 |
0.6707 | Remote Similarity | NPC474463 |
0.6707 | Remote Similarity | NPC246445 |
0.6706 | Remote Similarity | NPC477372 |
0.6706 | Remote Similarity | NPC103754 |
0.6706 | Remote Similarity | NPC147066 |
0.6706 | Remote Similarity | NPC232625 |
0.6706 | Remote Similarity | NPC474484 |
0.6667 | Remote Similarity | NPC477371 |
0.6667 | Remote Similarity | NPC142754 |
0.6667 | Remote Similarity | NPC230823 |
0.6667 | Remote Similarity | NPC214043 |
0.6667 | Remote Similarity | NPC82477 |
0.6667 | Remote Similarity | NPC87141 |
0.6667 | Remote Similarity | NPC49575 |
0.6667 | Remote Similarity | NPC39157 |
0.6667 | Remote Similarity | NPC155198 |
0.6667 | Remote Similarity | NPC55004 |
0.6667 | Remote Similarity | NPC209882 |
0.6667 | Remote Similarity | NPC87552 |
0.6667 | Remote Similarity | NPC85774 |
0.6667 | Remote Similarity | NPC267626 |
0.6667 | Remote Similarity | NPC202118 |
0.6667 | Remote Similarity | NPC296697 |
0.6667 | Remote Similarity | NPC472490 |
0.6667 | Remote Similarity | NPC310992 |
0.6667 | Remote Similarity | NPC197238 |
0.6629 | Remote Similarity | NPC476293 |
0.6629 | Remote Similarity | NPC93778 |
0.6628 | Remote Similarity | NPC327969 |
0.6628 | Remote Similarity | NPC145143 |
0.6628 | Remote Similarity | NPC469799 |
0.6628 | Remote Similarity | NPC469806 |
0.6628 | Remote Similarity | NPC469325 |
0.6628 | Remote Similarity | NPC477858 |
0.6628 | Remote Similarity | NPC193347 |
0.6628 | Remote Similarity | NPC321289 |
0.6627 | Remote Similarity | NPC149249 |
0.6627 | Remote Similarity | NPC68828 |
0.6625 | Remote Similarity | NPC225467 |
0.6625 | Remote Similarity | NPC181204 |
0.6623 | Remote Similarity | NPC103734 |
0.6622 | Remote Similarity | NPC127582 |
0.6593 | Remote Similarity | NPC126993 |
0.6591 | Remote Similarity | NPC473038 |
0.6591 | Remote Similarity | NPC142649 |
0.6591 | Remote Similarity | NPC469948 |
0.6591 | Remote Similarity | NPC470223 |
0.6585 | Remote Similarity | NPC201263 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC52667 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 |
---|---|---|---|
0.76 | Intermediate Similarity | NPD4747 | Approved |
0.76 | Intermediate Similarity | NPD4691 | Approved |
0.7467 | Intermediate Similarity | NPD4137 | Phase 3 |
0.7308 | Intermediate Similarity | NPD5733 | Approved |
0.7308 | Intermediate Similarity | NPD4058 | Approved |
0.7105 | Intermediate Similarity | NPD3621 | Clinical (unspecified phase) |
0.7089 | Intermediate Similarity | NPD4687 | Approved |
0.7051 | Intermediate Similarity | NPD5276 | Approved |
0.6941 | Remote Similarity | NPD4788 | Approved |
0.6628 | Remote Similarity | NPD4221 | Approved |
0.6628 | Remote Similarity | NPD4223 | Phase 3 |
0.6591 | Remote Similarity | NPD5329 | Approved |
0.6556 | Remote Similarity | NPD6903 | Approved |
0.6548 | Remote Similarity | NPD3617 | Approved |
0.6477 | Remote Similarity | NPD4786 | Approved |
0.6477 | Remote Similarity | NPD4197 | Approved |
0.642 | Remote Similarity | NPD6081 | Approved |
0.6418 | Remote Similarity | NPD343 | Approved |
0.6418 | Remote Similarity | NPD345 | Approved |
0.6418 | Remote Similarity | NPD344 | Approved |
0.6374 | Remote Similarity | NPD6672 | Approved |
0.6374 | Remote Similarity | NPD5737 | Approved |
0.6364 | Remote Similarity | NPD3527 | Clinical (unspecified phase) |
0.6344 | Remote Similarity | NPD6079 | Approved |
0.6333 | Remote Similarity | NPD7521 | Approved |
0.6333 | Remote Similarity | NPD5205 | Approved |
0.6333 | Remote Similarity | NPD4693 | Phase 3 |
0.6333 | Remote Similarity | NPD4138 | Approved |
0.6333 | Remote Similarity | NPD6684 | Approved |
0.6333 | Remote Similarity | NPD3574 | Clinical (unspecified phase) |
0.6333 | Remote Similarity | NPD5330 | Approved |
0.6333 | Remote Similarity | NPD4689 | Approved |
0.6333 | Remote Similarity | NPD6098 | Approved |
0.6333 | Remote Similarity | NPD5690 | Phase 2 |
0.6333 | Remote Similarity | NPD7146 | Approved |
0.6333 | Remote Similarity | NPD6409 | Approved |
0.6333 | Remote Similarity | NPD4690 | Approved |
0.6333 | Remote Similarity | NPD7334 | Approved |
0.6333 | Remote Similarity | NPD4688 | Approved |
0.6322 | Remote Similarity | NPD8028 | Phase 2 |
0.6316 | Remote Similarity | NPD5210 | Approved |
0.6316 | Remote Similarity | NPD4629 | Approved |
0.6304 | Remote Similarity | NPD5328 | Approved |
0.6304 | Remote Similarity | NPD6904 | Approved |
0.6304 | Remote Similarity | NPD6673 | Approved |
0.6304 | Remote Similarity | NPD6080 | Approved |
0.6292 | Remote Similarity | NPD3666 | Approved |
0.6292 | Remote Similarity | NPD3133 | Approved |
0.6292 | Remote Similarity | NPD3665 | Phase 1 |
0.6282 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD5360 | Phase 3 |
0.625 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD3667 | Approved |
0.6222 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.6196 | Remote Similarity | NPD5208 | Approved |
0.6196 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.6154 | Remote Similarity | NPD5280 | Approved |
0.6154 | Remote Similarity | NPD3618 | Phase 1 |
0.6154 | Remote Similarity | NPD4694 | Approved |
0.6146 | Remote Similarity | NPD6356 | Clinical (unspecified phase) |
0.6136 | Remote Similarity | NPD4139 | Approved |
0.6136 | Remote Similarity | NPD4692 | Approved |
0.6129 | Remote Similarity | NPD4753 | Phase 2 |
0.6111 | Remote Similarity | NPD3668 | Phase 3 |
0.6098 | Remote Similarity | NPD4789 | Approved |
0.6092 | Remote Similarity | NPD4195 | Approved |
0.6064 | Remote Similarity | NPD5207 | Approved |
0.6042 | Remote Similarity | NPD6001 | Approved |
0.6024 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.6024 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.6023 | Remote Similarity | NPD4695 | Discontinued |
0.6 | Remote Similarity | NPD4224 | Phase 2 |
0.6 | Remote Similarity | NPD6050 | Approved |
0.6 | Remote Similarity | NPD5693 | Phase 1 |
0.5978 | Remote Similarity | NPD5279 | Phase 3 |
0.596 | Remote Similarity | NPD5696 | Approved |
0.5941 | Remote Similarity | NPD5091 | Approved |
0.5938 | Remote Similarity | NPD4202 | Approved |
0.5938 | Remote Similarity | NPD6399 | Phase 3 |
0.5921 | Remote Similarity | NPD287 | Approved |
0.5918 | Remote Similarity | NPD5221 | Approved |
0.5918 | Remote Similarity | NPD5220 | Clinical (unspecified phase) |
0.5918 | Remote Similarity | NPD5222 | Approved |
0.5904 | Remote Similarity | NPD4244 | Approved |
0.5904 | Remote Similarity | NPD4245 | Approved |
0.5895 | Remote Similarity | NPD5692 | Phase 3 |
0.5865 | Remote Similarity | NPD6614 | Approved |
0.5859 | Remote Similarity | NPD5173 | Approved |
0.5859 | Remote Similarity | NPD6084 | Phase 2 |
0.5859 | Remote Similarity | NPD6083 | Phase 2 |
0.5833 | Remote Similarity | NPD8034 | Phase 2 |
0.5833 | Remote Similarity | NPD8035 | Phase 2 |
0.5833 | Remote Similarity | NPD5284 | Approved |
0.5833 | Remote Similarity | NPD5777 | Approved |
0.5833 | Remote Similarity | NPD5694 | Approved |
0.5833 | Remote Similarity | NPD5281 | Approved |
0.5833 | Remote Similarity | NPD4758 | Discontinued |
0.5806 | Remote Similarity | NPD4623 | Approved |
0.5806 | Remote Similarity | NPD4519 | Discontinued |
0.5783 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.5783 | Remote Similarity | NPD3698 | Phase 2 |
0.5783 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.5773 | Remote Similarity | NPD5133 | Approved |
0.5758 | Remote Similarity | NPD7614 | Phase 1 |
0.5758 | Remote Similarity | NPD4697 | Phase 3 |
0.5758 | Remote Similarity | NPD7732 | Phase 3 |
0.5745 | Remote Similarity | NPD3573 | Approved |
0.5743 | Remote Similarity | NPD5286 | Approved |
0.5743 | Remote Similarity | NPD4696 | Approved |
0.5743 | Remote Similarity | NPD5285 | Approved |
0.5729 | Remote Similarity | NPD4096 | Approved |
0.5728 | Remote Similarity | NPD6052 | Approved |
0.5714 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD5769 | Clinical (unspecified phase) |
0.57 | Remote Similarity | NPD4755 | Approved |
0.5698 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.5686 | Remote Similarity | NPD5223 | Approved |
0.566 | Remote Similarity | NPD7320 | Approved |
0.5657 | Remote Similarity | NPD5654 | Approved |
0.5657 | Remote Similarity | NPD5695 | Phase 3 |
0.5647 | Remote Similarity | NPD4243 | Approved |
0.5631 | Remote Similarity | NPD4633 | Approved |
0.5631 | Remote Similarity | NPD5226 | Approved |
0.5631 | Remote Similarity | NPD5224 | Approved |
0.5631 | Remote Similarity | NPD5225 | Approved |
0.5631 | Remote Similarity | NPD5211 | Phase 2 |
0.5625 | Remote Similarity | NPD7285 | Clinical (unspecified phase) |
0.5618 | Remote Similarity | NPD5364 | Discontinued |
PubChem CID   | 11743764 |
ChEMBL   | CHEMBL490348 |
ZINC   |
Molecular Weight:   | 436.33 |
ALogP:   | 2.8487 |
MLogP:   | 4.54 |
XLogP:   | 8.924 |
# Rotatable Bonds:   | 8 |
Polar Surface Area:   | 34.14 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 6 |
# Heavy Atoms:   | 32 |