Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO3492 | Negombata magnifica | Species | Latrunculiidae | Eukaryota |
PMID[15217296] |
|||
NPO19376 | Cacospongia mycofijiensis | Species | Thorectidae | Eukaryota |
PMID[18942825] |
|||
NPO3492 | Negombata magnifica | Species | Latrunculiidae | Eukaryota |
PMID[18942825] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | Ratio IC50 | = | 0.5 | Open TG-GATES in vivo data: Hematology | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | IC50 | = | 48000 | nM | 24417583 |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | IC50 | = | 26100 | nM | 10.1016/S0960-894X(97)00029-2 |
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 NPC151481 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 |
---|---|---|
0.8571 | High Similarity | NPC316185 |
0.8333 | Intermediate Similarity | NPC315843 |
0.8312 | Intermediate Similarity | NPC44261 |
0.8267 | Intermediate Similarity | NPC139712 |
0.8235 | Intermediate Similarity | NPC96414 |
0.8182 | Intermediate Similarity | NPC26223 |
0.8169 | Intermediate Similarity | NPC473361 |
0.8169 | Intermediate Similarity | NPC59558 |
0.8169 | Intermediate Similarity | NPC329904 |
0.8169 | Intermediate Similarity | NPC4299 |
0.8116 | Intermediate Similarity | NPC201356 |
0.8082 | Intermediate Similarity | NPC107654 |
0.8082 | Intermediate Similarity | NPC470686 |
0.8077 | Intermediate Similarity | NPC16488 |
0.806 | Intermediate Similarity | NPC26810 |
0.803 | Intermediate Similarity | NPC159650 |
0.803 | Intermediate Similarity | NPC22897 |
0.8028 | Intermediate Similarity | NPC101622 |
0.8 | Intermediate Similarity | NPC315394 |
0.8 | Intermediate Similarity | NPC315395 |
0.8 | Intermediate Similarity | NPC316426 |
0.7941 | Intermediate Similarity | NPC217940 |
0.7917 | Intermediate Similarity | NPC469660 |
0.7895 | Intermediate Similarity | NPC209135 |
0.7895 | Intermediate Similarity | NPC108816 |
0.7895 | Intermediate Similarity | NPC474816 |
0.7895 | Intermediate Similarity | NPC93763 |
0.7887 | Intermediate Similarity | NPC313444 |
0.7857 | Intermediate Similarity | NPC146811 |
0.7826 | Intermediate Similarity | NPC148233 |
0.7826 | Intermediate Similarity | NPC25747 |
0.7826 | Intermediate Similarity | NPC308457 |
0.7821 | Intermediate Similarity | NPC112868 |
0.7821 | Intermediate Similarity | NPC325031 |
0.7821 | Intermediate Similarity | NPC315731 |
0.7808 | Intermediate Similarity | NPC477087 |
0.7808 | Intermediate Similarity | NPC472254 |
0.7808 | Intermediate Similarity | NPC477086 |
0.7794 | Intermediate Similarity | NPC55376 |
0.7763 | Intermediate Similarity | NPC471225 |
0.7763 | Intermediate Similarity | NPC262747 |
0.7746 | Intermediate Similarity | NPC472266 |
0.7746 | Intermediate Similarity | NPC194871 |
0.7733 | Intermediate Similarity | NPC329852 |
0.7727 | Intermediate Similarity | NPC129150 |
0.7727 | Intermediate Similarity | NPC294938 |
0.7722 | Intermediate Similarity | NPC85772 |
0.7714 | Intermediate Similarity | NPC282760 |
0.7714 | Intermediate Similarity | NPC273600 |
0.7714 | Intermediate Similarity | NPC19769 |
0.7714 | Intermediate Similarity | NPC471556 |
0.7714 | Intermediate Similarity | NPC471566 |
0.7703 | Intermediate Similarity | NPC327383 |
0.7703 | Intermediate Similarity | NPC222244 |
0.7703 | Intermediate Similarity | NPC477085 |
0.7703 | Intermediate Similarity | NPC185186 |
0.7703 | Intermediate Similarity | NPC16349 |
0.7683 | Intermediate Similarity | NPC316138 |
0.7683 | Intermediate Similarity | NPC313658 |
0.7671 | Intermediate Similarity | NPC315597 |
0.7671 | Intermediate Similarity | NPC316029 |
0.7671 | Intermediate Similarity | NPC476037 |
0.7671 | Intermediate Similarity | NPC315285 |
0.7662 | Intermediate Similarity | NPC267231 |
0.7654 | Intermediate Similarity | NPC471494 |
0.7654 | Intermediate Similarity | NPC67081 |
0.7654 | Intermediate Similarity | NPC471223 |
0.7647 | Intermediate Similarity | NPC19241 |
0.7639 | Intermediate Similarity | NPC238223 |
0.7639 | Intermediate Similarity | NPC470256 |
0.7639 | Intermediate Similarity | NPC475760 |
0.7639 | Intermediate Similarity | NPC310210 |
0.7632 | Intermediate Similarity | NPC469880 |
0.7625 | Intermediate Similarity | NPC161045 |
0.7625 | Intermediate Similarity | NPC474809 |
0.7619 | Intermediate Similarity | NPC3952 |
0.7612 | Intermediate Similarity | NPC223679 |
0.7612 | Intermediate Similarity | NPC254095 |
0.7606 | Intermediate Similarity | NPC248125 |
0.7606 | Intermediate Similarity | NPC124586 |
0.7606 | Intermediate Similarity | NPC315115 |
0.76 | Intermediate Similarity | NPC259599 |
0.76 | Intermediate Similarity | NPC294434 |
0.76 | Intermediate Similarity | NPC117746 |
0.76 | Intermediate Similarity | NPC476355 |
0.76 | Intermediate Similarity | NPC15499 |
0.76 | Intermediate Similarity | NPC474758 |
0.7595 | Intermediate Similarity | NPC184208 |
0.7595 | Intermediate Similarity | NPC475944 |
0.7595 | Intermediate Similarity | NPC8538 |
0.7564 | Intermediate Similarity | NPC471537 |
0.7564 | Intermediate Similarity | NPC226226 |
0.7564 | Intermediate Similarity | NPC55304 |
0.7561 | Intermediate Similarity | NPC234038 |
0.7561 | Intermediate Similarity | NPC311163 |
0.7534 | Intermediate Similarity | NPC470693 |
0.7532 | Intermediate Similarity | NPC475711 |
0.7532 | Intermediate Similarity | NPC84360 |
0.7532 | Intermediate Similarity | NPC7563 |
0.7532 | Intermediate Similarity | NPC116177 |
0.7532 | Intermediate Similarity | NPC320630 |
0.7531 | Intermediate Similarity | NPC474865 |
0.7531 | Intermediate Similarity | NPC196487 |
0.7531 | Intermediate Similarity | NPC14575 |
0.7531 | Intermediate Similarity | NPC126518 |
0.75 | Intermediate Similarity | NPC115179 |
0.75 | Intermediate Similarity | NPC203335 |
0.75 | Intermediate Similarity | NPC212598 |
0.75 | Intermediate Similarity | NPC122627 |
0.75 | Intermediate Similarity | NPC82465 |
0.75 | Intermediate Similarity | NPC132286 |
0.75 | Intermediate Similarity | NPC313677 |
0.75 | Intermediate Similarity | NPC285840 |
0.75 | Intermediate Similarity | NPC133450 |
0.75 | Intermediate Similarity | NPC323251 |
0.75 | Intermediate Similarity | NPC327041 |
0.75 | Intermediate Similarity | NPC106040 |
0.747 | Intermediate Similarity | NPC160138 |
0.747 | Intermediate Similarity | NPC199382 |
0.7467 | Intermediate Similarity | NPC329890 |
0.7465 | Intermediate Similarity | NPC182794 |
0.7465 | Intermediate Similarity | NPC470688 |
0.7465 | Intermediate Similarity | NPC471565 |
0.7463 | Intermediate Similarity | NPC249850 |
0.7463 | Intermediate Similarity | NPC135863 |
0.7463 | Intermediate Similarity | NPC293437 |
0.7442 | Intermediate Similarity | NPC109406 |
0.7439 | Intermediate Similarity | NPC163606 |
0.7439 | Intermediate Similarity | NPC11804 |
0.7439 | Intermediate Similarity | NPC261380 |
0.7436 | Intermediate Similarity | NPC248775 |
0.7436 | Intermediate Similarity | NPC279532 |
0.7432 | Intermediate Similarity | NPC476012 |
0.7432 | Intermediate Similarity | NPC202011 |
0.7429 | Intermediate Similarity | NPC179087 |
0.7429 | Intermediate Similarity | NPC68110 |
0.7429 | Intermediate Similarity | NPC473737 |
0.7429 | Intermediate Similarity | NPC155849 |
0.7429 | Intermediate Similarity | NPC210303 |
0.7429 | Intermediate Similarity | NPC44343 |
0.7412 | Intermediate Similarity | NPC177668 |
0.7407 | Intermediate Similarity | NPC42476 |
0.7407 | Intermediate Similarity | NPC315559 |
0.7407 | Intermediate Similarity | NPC250315 |
0.7407 | Intermediate Similarity | NPC40746 |
0.7407 | Intermediate Similarity | NPC169575 |
0.7403 | Intermediate Similarity | NPC68819 |
0.7403 | Intermediate Similarity | NPC477202 |
0.7403 | Intermediate Similarity | NPC123360 |
0.7397 | Intermediate Similarity | NPC474823 |
0.7397 | Intermediate Similarity | NPC276290 |
0.7391 | Intermediate Similarity | NPC79756 |
0.7368 | Intermediate Similarity | NPC114727 |
0.7368 | Intermediate Similarity | NPC476590 |
0.7368 | Intermediate Similarity | NPC140287 |
0.7361 | Intermediate Similarity | NPC475555 |
0.7361 | Intermediate Similarity | NPC37382 |
0.7361 | Intermediate Similarity | NPC475675 |
0.7361 | Intermediate Similarity | NPC191233 |
0.7353 | Intermediate Similarity | NPC21946 |
0.7349 | Intermediate Similarity | NPC186332 |
0.7349 | Intermediate Similarity | NPC305475 |
0.7349 | Intermediate Similarity | NPC475461 |
0.7349 | Intermediate Similarity | NPC47220 |
0.7342 | Intermediate Similarity | NPC470148 |
0.7342 | Intermediate Similarity | NPC86971 |
0.7342 | Intermediate Similarity | NPC469617 |
0.7342 | Intermediate Similarity | NPC180725 |
0.7342 | Intermediate Similarity | NPC470149 |
0.7342 | Intermediate Similarity | NPC178277 |
0.7333 | Intermediate Similarity | NPC477084 |
0.7333 | Intermediate Similarity | NPC163003 |
0.7333 | Intermediate Similarity | NPC293114 |
0.7333 | Intermediate Similarity | NPC475762 |
0.7333 | Intermediate Similarity | NPC67076 |
0.7333 | Intermediate Similarity | NPC319163 |
0.7326 | Intermediate Similarity | NPC206679 |
0.7326 | Intermediate Similarity | NPC114172 |
0.7326 | Intermediate Similarity | NPC471324 |
0.7326 | Intermediate Similarity | NPC476084 |
0.7326 | Intermediate Similarity | NPC476075 |
0.7324 | Intermediate Similarity | NPC34883 |
0.7317 | Intermediate Similarity | NPC160517 |
0.7317 | Intermediate Similarity | NPC186155 |
0.7317 | Intermediate Similarity | NPC31086 |
0.7317 | Intermediate Similarity | NPC70424 |
0.7317 | Intermediate Similarity | NPC78673 |
0.7317 | Intermediate Similarity | NPC243618 |
0.7317 | Intermediate Similarity | NPC161670 |
0.7317 | Intermediate Similarity | NPC476804 |
0.7313 | Intermediate Similarity | NPC96663 |
0.7308 | Intermediate Similarity | NPC477203 |
0.7308 | Intermediate Similarity | NPC187568 |
0.7308 | Intermediate Similarity | NPC57744 |
0.7308 | Intermediate Similarity | NPC41780 |
0.7308 | Intermediate Similarity | NPC316324 |
0.7308 | Intermediate Similarity | NPC476439 |
0.7308 | Intermediate Similarity | NPC474026 |
0.7297 | Intermediate Similarity | NPC265574 |
0.7297 | Intermediate Similarity | NPC475004 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC151481 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 |
---|---|---|---|
0.7714 | Intermediate Similarity | NPD2685 | Clinical (unspecified phase) |
0.7531 | Intermediate Similarity | NPD6400 | Clinical (unspecified phase) |
0.7011 | Intermediate Similarity | NPD7838 | Discovery |
0.6867 | Remote Similarity | NPD5209 | Approved |
0.6849 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.6848 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6818 | Remote Similarity | NPD46 | Approved |
0.6818 | Remote Similarity | NPD5785 | Approved |
0.6818 | Remote Similarity | NPD6698 | Approved |
0.6806 | Remote Similarity | NPD4193 | Approved |
0.6806 | Remote Similarity | NPD4194 | Approved |
0.6806 | Remote Similarity | NPD4192 | Approved |
0.6806 | Remote Similarity | NPD4191 | Approved |
0.6786 | Remote Similarity | NPD7154 | Phase 3 |
0.6774 | Remote Similarity | NPD6648 | Approved |
0.6702 | Remote Similarity | NPD5344 | Discontinued |
0.6667 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD4225 | Approved |
0.6628 | Remote Similarity | NPD5363 | Approved |
0.6627 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6588 | Remote Similarity | NPD5362 | Discontinued |
0.6567 | Remote Similarity | NPD6927 | Phase 3 |
0.6515 | Remote Similarity | NPD4220 | Pre-registration |
0.6463 | Remote Similarity | NPD4756 | Discovery |
0.6438 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6437 | Remote Similarity | NPD1694 | Approved |
0.6437 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6429 | Remote Similarity | NPD4822 | Approved |
0.6429 | Remote Similarity | NPD4820 | Approved |
0.6429 | Remote Similarity | NPD4821 | Approved |
0.6429 | Remote Similarity | NPD4819 | Approved |
0.642 | Remote Similarity | NPD8039 | Approved |
0.6395 | Remote Similarity | NPD5332 | Approved |
0.6395 | Remote Similarity | NPD5331 | Approved |
0.6386 | Remote Similarity | NPD4271 | Approved |
0.6386 | Remote Similarity | NPD4268 | Approved |
0.6386 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6374 | Remote Similarity | NPD7637 | Suspended |
0.6353 | Remote Similarity | NPD4790 | Discontinued |
0.6351 | Remote Similarity | NPD368 | Approved |
0.6344 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.6304 | Remote Similarity | NPD5778 | Approved |
0.6304 | Remote Similarity | NPD5779 | Approved |
0.6279 | Remote Similarity | NPD4270 | Approved |
0.6279 | Remote Similarity | NPD4269 | Approved |
0.625 | Remote Similarity | NPD7640 | Approved |
0.625 | Remote Similarity | NPD7639 | Approved |
0.6235 | Remote Similarity | NPD4252 | Approved |
0.6196 | Remote Similarity | NPD7983 | Approved |
0.618 | Remote Similarity | NPD5786 | Approved |
0.618 | Remote Similarity | NPD4249 | Approved |
0.6154 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.6146 | Remote Similarity | NPD7638 | Approved |
0.6111 | Remote Similarity | NPD4251 | Approved |
0.6111 | Remote Similarity | NPD4250 | Approved |
0.6105 | Remote Similarity | NPD4792 | Clinical (unspecified phase) |
0.6105 | Remote Similarity | NPD7839 | Suspended |
0.6067 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.6024 | Remote Similarity | NPD8264 | Approved |
0.5981 | Remote Similarity | NPD7115 | Discovery |
0.5978 | Remote Similarity | NPD6101 | Approved |
0.5978 | Remote Similarity | NPD6051 | Approved |
0.5978 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5977 | Remote Similarity | NPD5369 | Approved |
0.5972 | Remote Similarity | NPD342 | Phase 1 |
0.5946 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.5946 | Remote Similarity | NPD6109 | Phase 1 |
0.5941 | Remote Similarity | NPD4211 | Phase 1 |
0.5934 | Remote Similarity | NPD1282 | Approved |
0.5909 | Remote Similarity | NPD6435 | Approved |
0.59 | Remote Similarity | NPD6647 | Phase 2 |
0.589 | Remote Similarity | NPD4219 | Approved |
0.5882 | Remote Similarity | NPD5343 | Approved |
0.5882 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.5865 | Remote Similarity | NPD6371 | Approved |
0.5862 | Remote Similarity | NPD8259 | Clinical (unspecified phase) |
0.5851 | Remote Similarity | NPD4810 | Clinical (unspecified phase) |
0.5851 | Remote Similarity | NPD6411 | Approved |
0.5843 | Remote Similarity | NPD6110 | Phase 1 |
0.5825 | Remote Similarity | NPD6686 | Approved |
0.5824 | Remote Similarity | NPD6422 | Discontinued |
0.5821 | Remote Similarity | NPD4265 | Approved |
0.5814 | Remote Similarity | NPD7322 | Clinical (unspecified phase) |
0.581 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.5806 | Remote Similarity | NPD5370 | Suspended |
0.5806 | Remote Similarity | NPD1695 | Approved |
0.5783 | Remote Similarity | NPD4732 | Discontinued |
0.5755 | Remote Similarity | NPD6053 | Discontinued |
0.5729 | Remote Similarity | NPD7748 | Approved |
0.5688 | Remote Similarity | NPD7505 | Discontinued |
0.5686 | Remote Similarity | NPD5909 | Discontinued |
0.5682 | Remote Similarity | NPD7332 | Phase 2 |
0.5682 | Remote Similarity | NPD7514 | Phase 3 |
0.5682 | Remote Similarity | NPD5368 | Approved |
0.5672 | Remote Similarity | NPD6097 | Approved |
0.5672 | Remote Similarity | NPD6096 | Approved |
0.5667 | Remote Similarity | NPD6695 | Phase 3 |
0.566 | Remote Similarity | NPD7116 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD6409 | Approved |
0.5652 | Remote Similarity | NPD7146 | Approved |
0.5652 | Remote Similarity | NPD6684 | Approved |
0.5652 | Remote Similarity | NPD5330 | Approved |
0.5652 | Remote Similarity | NPD7521 | Approved |
0.5652 | Remote Similarity | NPD7334 | Approved |
0.5644 | Remote Similarity | NPD7632 | Discontinued |
0.5641 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.5632 | Remote Similarity | NPD7145 | Approved |
0.5625 | Remote Similarity | NPD6399 | Phase 3 |
0.5625 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD7331 | Phase 2 |
0.5618 | Remote Similarity | NPD6902 | Approved |
0.5604 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD8779 | Phase 3 |
PubChem CID   | 11426344 |
ChEMBL   | CHEMBL512338 |
ZINC   |
Molecular Weight:   | 292.17 |
ALogP:   | 1.9297 |
MLogP:   | 2.89 |
XLogP:   | 3.901 |
# Rotatable Bonds:   | 11 |
Polar Surface Area:   | 63.6 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 1 |
# Rings:   | 1 |
# Heavy Atoms:   | 21 |