Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Ratio IC50 | > | 240 | DrugMatrix in vivo data: Pathology | ||
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | IC50 | = | 0.0849 | ug/ml | PubChem BioAssay data set |
NPT91 | Cell Line | KB | Homo sapiens | IC50 | > | 20 | ug/ml | PubChem BioAssay data set |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | IC50 | = | 0.0284 | ug/ml | 21616566 |
NPT2 | Others | Unspecified | Ratio IC50 | > | 700 | 17844994 |
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 NPC474455 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 |
---|---|---|
1.0 | High Similarity | NPC474420 |
1.0 | High Similarity | NPC474454 |
0.9636 | High Similarity | NPC475696 |
0.9636 | High Similarity | NPC474457 |
0.9636 | High Similarity | NPC474415 |
0.9636 | High Similarity | NPC474528 |
0.9298 | High Similarity | NPC475716 |
0.8909 | High Similarity | NPC474416 |
0.8364 | Intermediate Similarity | NPC476681 |
0.8276 | Intermediate Similarity | NPC469770 |
0.8226 | Intermediate Similarity | NPC474086 |
0.7931 | Intermediate Similarity | NPC476679 |
0.7857 | Intermediate Similarity | NPC17518 |
0.7857 | Intermediate Similarity | NPC22765 |
0.7636 | Intermediate Similarity | NPC86683 |
0.7619 | Intermediate Similarity | NPC317778 |
0.75 | Intermediate Similarity | NPC184919 |
0.75 | Intermediate Similarity | NPC138409 |
0.7368 | Intermediate Similarity | NPC124851 |
0.7313 | Intermediate Similarity | NPC474456 |
0.7273 | Intermediate Similarity | NPC192529 |
0.7188 | Intermediate Similarity | NPC472827 |
0.7143 | Intermediate Similarity | NPC202189 |
0.7097 | Intermediate Similarity | NPC123194 |
0.7091 | Intermediate Similarity | NPC193180 |
0.7077 | Intermediate Similarity | NPC311809 |
0.7051 | Intermediate Similarity | NPC477289 |
0.7049 | Intermediate Similarity | NPC127944 |
0.7031 | Intermediate Similarity | NPC469769 |
0.7018 | Intermediate Similarity | NPC13991 |
0.7018 | Intermediate Similarity | NPC296337 |
0.7018 | Intermediate Similarity | NPC241784 |
0.7018 | Intermediate Similarity | NPC114239 |
0.6984 | Remote Similarity | NPC318036 |
0.697 | Remote Similarity | NPC219621 |
0.6909 | Remote Similarity | NPC103290 |
0.6892 | Remote Similarity | NPC476308 |
0.6875 | Remote Similarity | NPC470369 |
0.6875 | Remote Similarity | NPC173815 |
0.6875 | Remote Similarity | NPC470370 |
0.6857 | Remote Similarity | NPC296697 |
0.6857 | Remote Similarity | NPC39157 |
0.6857 | Remote Similarity | NPC82477 |
0.6857 | Remote Similarity | NPC142754 |
0.6842 | Remote Similarity | NPC248411 |
0.6806 | Remote Similarity | NPC265789 |
0.6806 | Remote Similarity | NPC21773 |
0.6786 | Remote Similarity | NPC190232 |
0.6786 | Remote Similarity | NPC105246 |
0.6769 | Remote Similarity | NPC324944 |
0.6765 | Remote Similarity | NPC469662 |
0.6761 | Remote Similarity | NPC286814 |
0.6714 | Remote Similarity | NPC20181 |
0.6714 | Remote Similarity | NPC220210 |
0.6667 | Remote Similarity | NPC476683 |
0.6622 | Remote Similarity | NPC476904 |
0.6618 | Remote Similarity | NPC202118 |
0.6618 | Remote Similarity | NPC145715 |
0.6618 | Remote Similarity | NPC197238 |
0.6613 | Remote Similarity | NPC473728 |
0.6575 | Remote Similarity | NPC190035 |
0.6571 | Remote Similarity | NPC92327 |
0.6571 | Remote Similarity | NPC286669 |
0.6571 | Remote Similarity | NPC222366 |
0.6571 | Remote Similarity | NPC476039 |
0.6562 | Remote Similarity | NPC470893 |
0.6557 | Remote Similarity | NPC200129 |
0.6522 | Remote Similarity | NPC473959 |
0.6515 | Remote Similarity | NPC60772 |
0.6486 | Remote Similarity | NPC474488 |
0.6479 | Remote Similarity | NPC197805 |
0.6479 | Remote Similarity | NPC176107 |
0.6471 | Remote Similarity | NPC469728 |
0.6447 | Remote Similarity | NPC7214 |
0.6418 | Remote Similarity | NPC28755 |
0.6418 | Remote Similarity | NPC152211 |
0.64 | Remote Similarity | NPC100334 |
0.64 | Remote Similarity | NPC211641 |
0.6393 | Remote Similarity | NPC17810 |
0.6389 | Remote Similarity | NPC20610 |
0.6389 | Remote Similarity | NPC94192 |
0.6364 | Remote Similarity | NPC139717 |
0.6364 | Remote Similarity | NPC297643 |
0.6364 | Remote Similarity | NPC229262 |
0.6351 | Remote Similarity | NPC476329 |
0.6351 | Remote Similarity | NPC225467 |
0.6338 | Remote Similarity | NPC323005 |
0.6338 | Remote Similarity | NPC37792 |
0.6329 | Remote Similarity | NPC12035 |
0.6316 | Remote Similarity | NPC293803 |
0.6301 | Remote Similarity | NPC139397 |
0.6301 | Remote Similarity | NPC182815 |
0.625 | Remote Similarity | NPC193770 |
0.6234 | Remote Similarity | NPC112680 |
0.6234 | Remote Similarity | NPC106364 |
0.6234 | Remote Similarity | NPC120098 |
0.6234 | Remote Similarity | NPC290598 |
0.6234 | Remote Similarity | NPC27765 |
0.6234 | Remote Similarity | NPC122418 |
0.6234 | Remote Similarity | NPC265328 |
0.6234 | Remote Similarity | NPC30590 |
0.6216 | Remote Similarity | NPC2634 |
0.6216 | Remote Similarity | NPC214770 |
0.6216 | Remote Similarity | NPC475728 |
0.6216 | Remote Similarity | NPC477856 |
0.6216 | Remote Similarity | NPC260040 |
0.6216 | Remote Similarity | NPC282593 |
0.6216 | Remote Similarity | NPC265782 |
0.6216 | Remote Similarity | NPC307176 |
0.6216 | Remote Similarity | NPC159577 |
0.6216 | Remote Similarity | NPC251929 |
0.6216 | Remote Similarity | NPC35734 |
0.6207 | Remote Similarity | NPC177470 |
0.6203 | Remote Similarity | NPC211322 |
0.6197 | Remote Similarity | NPC163678 |
0.6184 | Remote Similarity | NPC219232 |
0.6184 | Remote Similarity | NPC128346 |
0.6182 | Remote Similarity | NPC190810 |
0.6182 | Remote Similarity | NPC76145 |
0.6182 | Remote Similarity | NPC34764 |
0.6167 | Remote Similarity | NPC49088 |
0.6164 | Remote Similarity | NPC260474 |
0.6164 | Remote Similarity | NPC188292 |
0.6164 | Remote Similarity | NPC216460 |
0.6164 | Remote Similarity | NPC32055 |
0.6164 | Remote Similarity | NPC310992 |
0.6154 | Remote Similarity | NPC472805 |
0.6154 | Remote Similarity | NPC101475 |
0.6154 | Remote Similarity | NPC471897 |
0.6154 | Remote Similarity | NPC40394 |
0.6154 | Remote Similarity | NPC107039 |
0.6154 | Remote Similarity | NPC34177 |
0.6154 | Remote Similarity | NPC90979 |
0.6154 | Remote Similarity | NPC157996 |
0.6154 | Remote Similarity | NPC471899 |
0.614 | Remote Similarity | NPC227632 |
0.614 | Remote Similarity | NPC78551 |
0.614 | Remote Similarity | NPC62086 |
0.6133 | Remote Similarity | NPC54123 |
0.6133 | Remote Similarity | NPC115023 |
0.6133 | Remote Similarity | NPC470078 |
0.6119 | Remote Similarity | NPC11130 |
0.6111 | Remote Similarity | NPC279434 |
0.6111 | Remote Similarity | NPC242945 |
0.6111 | Remote Similarity | NPC176171 |
0.6111 | Remote Similarity | NPC259156 |
0.6104 | Remote Similarity | NPC34700 |
0.6104 | Remote Similarity | NPC138374 |
0.6104 | Remote Similarity | NPC125828 |
0.6102 | Remote Similarity | NPC86538 |
0.6102 | Remote Similarity | NPC109813 |
0.6102 | Remote Similarity | NPC60556 |
0.6098 | Remote Similarity | NPC171639 |
0.6087 | Remote Similarity | NPC127582 |
0.6087 | Remote Similarity | NPC176621 |
0.6081 | Remote Similarity | NPC472831 |
0.6076 | Remote Similarity | NPC99168 |
0.6076 | Remote Similarity | NPC253807 |
0.6076 | Remote Similarity | NPC22955 |
0.6076 | Remote Similarity | NPC260385 |
0.6076 | Remote Similarity | NPC110094 |
0.6076 | Remote Similarity | NPC474989 |
0.6076 | Remote Similarity | NPC158662 |
0.6076 | Remote Similarity | NPC115515 |
0.6076 | Remote Similarity | NPC300499 |
0.6076 | Remote Similarity | NPC196753 |
0.6076 | Remote Similarity | NPC470396 |
0.6076 | Remote Similarity | NPC230295 |
0.6076 | Remote Similarity | NPC98386 |
0.6076 | Remote Similarity | NPC280654 |
0.6066 | Remote Similarity | NPC323445 |
0.6056 | Remote Similarity | NPC285371 |
0.6056 | Remote Similarity | NPC169275 |
0.6056 | Remote Similarity | NPC52449 |
0.6056 | Remote Similarity | NPC475124 |
0.6053 | Remote Similarity | NPC474228 |
0.6053 | Remote Similarity | NPC471799 |
0.6053 | Remote Similarity | NPC182717 |
0.6053 | Remote Similarity | NPC303613 |
0.6053 | Remote Similarity | NPC251705 |
0.6053 | Remote Similarity | NPC474743 |
0.6049 | Remote Similarity | NPC152039 |
0.6049 | Remote Similarity | NPC118329 |
0.6049 | Remote Similarity | NPC329782 |
0.6034 | Remote Similarity | NPC144023 |
0.6029 | Remote Similarity | NPC472830 |
0.6026 | Remote Similarity | NPC89294 |
0.6026 | Remote Similarity | NPC292589 |
0.6 | Remote Similarity | NPC231431 |
0.6 | Remote Similarity | NPC40574 |
0.6 | Remote Similarity | NPC199595 |
0.6 | Remote Similarity | NPC53744 |
0.6 | Remote Similarity | NPC60565 |
0.6 | Remote Similarity | NPC145498 |
0.6 | Remote Similarity | NPC291379 |
0.6 | Remote Similarity | NPC16394 |
0.5976 | Remote Similarity | NPC215474 |
0.5976 | Remote Similarity | NPC283277 |
0.5976 | Remote Similarity | NPC472312 |
0.5974 | Remote Similarity | NPC241854 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC474455 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 |
---|---|---|---|
0.7105 | Intermediate Similarity | NPD8028 | Phase 2 |
0.6901 | Remote Similarity | NPD6938 | Clinical (unspecified phase) |
0.6901 | Remote Similarity | NPD6939 | Phase 2 |
0.6786 | Remote Similarity | NPD1799 | Clinical (unspecified phase) |
0.6393 | Remote Similarity | NPD8262 | Approved |
0.6389 | Remote Similarity | NPD3621 | Clinical (unspecified phase) |
0.6301 | Remote Similarity | NPD4137 | Phase 3 |
0.6216 | Remote Similarity | NPD4691 | Approved |
0.6216 | Remote Similarity | NPD4747 | Approved |
0.6182 | Remote Similarity | NPD319 | Phase 1 |
0.6133 | Remote Similarity | NPD4243 | Approved |
0.6 | Remote Similarity | NPD7645 | Phase 2 |
0.6 | Remote Similarity | NPD7614 | Phase 1 |
0.6 | Remote Similarity | NPD7732 | Phase 3 |
0.5974 | Remote Similarity | NPD4785 | Approved |
0.5974 | Remote Similarity | NPD4058 | Approved |
0.5974 | Remote Similarity | NPD4784 | Approved |
0.5897 | Remote Similarity | NPD6942 | Approved |
0.5897 | Remote Similarity | NPD7339 | Approved |
0.5897 | Remote Similarity | NPD4190 | Phase 3 |
0.5897 | Remote Similarity | NPD5275 | Approved |
0.5823 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.5795 | Remote Similarity | NPD4096 | Approved |
0.5769 | Remote Similarity | NPD4687 | Approved |
0.5769 | Remote Similarity | NPD5733 | Approved |
0.5714 | Remote Similarity | NPD5276 | Approved |
0.5714 | Remote Similarity | NPD3527 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD5365 | Phase 2 |
0.5647 | Remote Similarity | NPD4544 | Approved |
0.561 | Remote Similarity | NPD4195 | Approved |
PubChem CID   | 44566840 |
ChEMBL   | CHEMBL469277 |
ZINC   |
Molecular Weight:   | 297.25 |
ALogP:   | 2.0352 |
MLogP:   | 3.66 |
XLogP:   | 7 |
# Rotatable Bonds:   | 4 |
Polar Surface Area:   | 23.79 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 4 |
# Heavy Atoms:   | 22 |