Natural Product ID:   | NPC227905 |
Common Name:   | Pseurotin A |
IUPAC Name:   | (5S,8S,9R)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione |
Synonyms:   | |
Molecular Formula:   | C22H25NO8 |
Standard InCHIKey:   | SLYDIPAXCVVRNY-UOWMTANKSA-N |
Standard InCHI:   | InChI=1S/C22H25NO8/c1-4-5-11-14(24)15(25)16-12(2)17(26)21(31-16)19(28)22(30-3,23-20(21)29)18(27)13-9-7-6-8-10-13/h5-11,14-15,19,24-25,28H,4H2,1-3H3,(H,23,29)/b11-5-/t14-,15-,19+,21+,22+/m0/s1 |
Canonical SMILES:   | CC/C=C[C@@H]([C@@H](C1=C(C)C(=O)[C@]2(O1)C(=N[C@@]([C@@H]2O)(OC)C(=O)c1ccccc1)O)O)O |
First Find Year:   | |
Max Developmental Stage:   | |
Synthetic Gene Cluster:   | BGC0001037 ; |
Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO10538 | Aspergillus fumigatus | Species | Aspergillaceae | Eukaryota |
PMID[17929896] |
|||
NPO27821.1 | Pochonia chlamydosporia | Under-species | NA | NA |
PMID[12828470] |
|||
NPO32792 | aspergillus sydowi | Species | Aspergillaceae | Eukaryota |
PMID[18505285] |
|||
NPO10538 | Aspergillus fumigatus | Species | Aspergillaceae | Eukaryota |
PMID[19256529] |
|||
NPO10538 | Aspergillus fumigatus | Species | Aspergillaceae | Eukaryota | stem bark of Melia azedarach |
PMID[22409377] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT729 | Organism | Micrococcus luteus | Micrococcus luteus | MIC | = | 7420 | nM | 12662101 |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | = | 14490 | nM | 19007286 |
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | MIC | = | 14490 | nM | 19007286 |
NPT111 | Cell Line | K562 | Homo sapiens | IC50 | = | 41000 | nM | 20055495 |
NPT111 | Cell Line | K562 | Homo sapiens | IC50 | > | 10 | nM | 9213587 |
NPT2 | Others | Unspecified | IC50 | > | 10000 | nM | 9213587 | |
NPT2 | Others | Unspecified | IC50 | = | 3600 | nM | 22691179 | |
NPT176 | Organism | Artemia salina | Artemia salina | LC50 | > | 100 | ug/ml | DrugMatrix in vitro pharmacology data |
NPT190 | Organism | Human herpesvirus 1 | Human herpesvirus 1 | IC50 | = | 50000 | nM | 23905700 |
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 NPC227905 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 | NPC146097 |
1.0 | High Similarity | NPC339338 |
0.9856 | High Similarity | NPC185404 |
0.8986 | High Similarity | NPC477680 |
0.7534 | Intermediate Similarity | NPC81135 |
0.7347 | Intermediate Similarity | NPC236405 |
0.7255 | Intermediate Similarity | NPC208725 |
0.719 | Intermediate Similarity | NPC279045 |
0.719 | Intermediate Similarity | NPC113325 |
0.7183 | Intermediate Similarity | NPC188010 |
0.7152 | Intermediate Similarity | NPC49565 |
0.7133 | Intermediate Similarity | NPC116057 |
0.7124 | Intermediate Similarity | NPC228511 |
0.7097 | Intermediate Similarity | NPC473055 |
0.7097 | Intermediate Similarity | NPC473052 |
0.7083 | Intermediate Similarity | NPC471553 |
0.7059 | Intermediate Similarity | NPC328070 |
0.7055 | Intermediate Similarity | NPC105709 |
0.7051 | Intermediate Similarity | NPC471201 |
0.7051 | Intermediate Similarity | NPC322526 |
0.7039 | Intermediate Similarity | NPC183722 |
0.7027 | Intermediate Similarity | NPC65627 |
0.6962 | Remote Similarity | NPC261709 |
0.6962 | Remote Similarity | NPC111586 |
0.6962 | Remote Similarity | NPC108852 |
0.6946 | Remote Similarity | NPC476194 |
0.6923 | Remote Similarity | NPC472247 |
0.6923 | Remote Similarity | NPC175870 |
0.6908 | Remote Similarity | NPC316553 |
0.6908 | Remote Similarity | NPC472413 |
0.6857 | Remote Similarity | NPC315406 |
0.6824 | Remote Similarity | NPC190663 |
0.6824 | Remote Similarity | NPC80150 |
0.6818 | Remote Similarity | NPC262819 |
0.68 | Remote Similarity | NPC472415 |
0.6797 | Remote Similarity | NPC71271 |
0.6797 | Remote Similarity | NPC472707 |
0.6796 | Remote Similarity | NPC471395 |
0.6795 | Remote Similarity | NPC144257 |
0.679 | Remote Similarity | NPC31171 |
0.679 | Remote Similarity | NPC237240 |
0.6788 | Remote Similarity | NPC4108 |
0.6781 | Remote Similarity | NPC108532 |
0.6776 | Remote Similarity | NPC33372 |
0.6776 | Remote Similarity | NPC67246 |
0.6776 | Remote Similarity | NPC294050 |
0.6776 | Remote Similarity | NPC328997 |
0.6774 | Remote Similarity | NPC42423 |
0.6733 | Remote Similarity | NPC160493 |
0.6728 | Remote Similarity | NPC45307 |
0.6727 | Remote Similarity | NPC162104 |
0.6721 | Remote Similarity | NPC471754 |
0.6721 | Remote Similarity | NPC206211 |
0.6721 | Remote Similarity | NPC306001 |
0.6721 | Remote Similarity | NPC473400 |
0.6721 | Remote Similarity | NPC317882 |
0.6721 | Remote Similarity | NPC473300 |
0.6721 | Remote Similarity | NPC475336 |
0.6721 | Remote Similarity | NPC471629 |
0.6721 | Remote Similarity | NPC275170 |
0.6721 | Remote Similarity | NPC324251 |
0.6721 | Remote Similarity | NPC453583 |
0.6711 | Remote Similarity | NPC478014 |
0.6711 | Remote Similarity | NPC478016 |
0.6711 | Remote Similarity | NPC246166 |
0.6711 | Remote Similarity | NPC478015 |
0.6709 | Remote Similarity | NPC474659 |
0.6708 | Remote Similarity | NPC474303 |
0.6708 | Remote Similarity | NPC473497 |
0.6708 | Remote Similarity | NPC475413 |
0.6707 | Remote Similarity | NPC170668 |
0.6707 | Remote Similarity | NPC477737 |
0.6704 | Remote Similarity | NPC469973 |
0.669 | Remote Similarity | NPC474544 |
0.669 | Remote Similarity | NPC475282 |
0.669 | Remote Similarity | NPC1986 |
0.669 | Remote Similarity | NPC474363 |
0.6689 | Remote Similarity | NPC139171 |
0.6687 | Remote Similarity | NPC477097 |
0.6687 | Remote Similarity | NPC477101 |
0.6687 | Remote Similarity | NPC239770 |
0.6687 | Remote Similarity | NPC477099 |
0.6685 | Remote Similarity | NPC313708 |
0.6667 | Remote Similarity | NPC278097 |
0.6667 | Remote Similarity | NPC201692 |
0.6667 | Remote Similarity | NPC477250 |
0.6667 | Remote Similarity | NPC79608 |
0.6667 | Remote Similarity | NPC205389 |
0.6647 | Remote Similarity | NPC471203 |
0.6645 | Remote Similarity | NPC471466 |
0.6631 | Remote Similarity | NPC471606 |
0.6631 | Remote Similarity | NPC208553 |
0.6631 | Remote Similarity | NPC181964 |
0.6624 | Remote Similarity | NPC108553 |
0.6609 | Remote Similarity | NPC101207 |
0.6604 | Remote Similarity | NPC477367 |
0.6604 | Remote Similarity | NPC232888 |
0.6604 | Remote Similarity | NPC23894 |
0.6601 | Remote Similarity | NPC477249 |
0.6601 | Remote Similarity | NPC472414 |
0.6601 | Remote Similarity | NPC477248 |
0.6601 | Remote Similarity | NPC47667 |
0.6599 | Remote Similarity | NPC210531 |
0.6596 | Remote Similarity | NPC473558 |
0.659 | Remote Similarity | NPC15506 |
0.6587 | Remote Similarity | NPC232583 |
0.6587 | Remote Similarity | NPC25484 |
0.6585 | Remote Similarity | NPC135121 |
0.6578 | Remote Similarity | NPC215892 |
0.6578 | Remote Similarity | NPC242662 |
0.6578 | Remote Similarity | NPC191193 |
0.6578 | Remote Similarity | NPC321072 |
0.6576 | Remote Similarity | NPC471623 |
0.6571 | Remote Similarity | NPC314693 |
0.6568 | Remote Similarity | NPC477098 |
0.6568 | Remote Similarity | NPC477100 |
0.6562 | Remote Similarity | NPC217673 |
0.6562 | Remote Similarity | NPC52523 |
0.6561 | Remote Similarity | NPC471334 |
0.6561 | Remote Similarity | NPC17567 |
0.6558 | Remote Similarity | NPC476033 |
0.6558 | Remote Similarity | NPC65310 |
0.6557 | Remote Similarity | NPC295531 |
0.6552 | Remote Similarity | NPC474314 |
0.6548 | Remote Similarity | NPC101043 |
0.6548 | Remote Similarity | NPC306799 |
0.6548 | Remote Similarity | NPC471103 |
0.6545 | Remote Similarity | NPC246412 |
0.6545 | Remote Similarity | NPC173934 |
0.6543 | Remote Similarity | NPC251439 |
0.6543 | Remote Similarity | NPC107571 |
0.6543 | Remote Similarity | NPC173980 |
0.6541 | Remote Similarity | NPC136994 |
0.6541 | Remote Similarity | NPC477368 |
0.6541 | Remote Similarity | NPC88255 |
0.6536 | Remote Similarity | NPC285394 |
0.6531 | Remote Similarity | NPC470764 |
0.6531 | Remote Similarity | NPC469509 |
0.6529 | Remote Similarity | NPC473670 |
0.6529 | Remote Similarity | NPC21410 |
0.6522 | Remote Similarity | NPC27721 |
0.6522 | Remote Similarity | NPC86772 |
0.6522 | Remote Similarity | NPC46098 |
0.6522 | Remote Similarity | NPC268841 |
0.6522 | Remote Similarity | NPC307357 |
0.6516 | Remote Similarity | NPC146239 |
0.6512 | Remote Similarity | NPC156348 |
0.6509 | Remote Similarity | NPC32197 |
0.6508 | Remote Similarity | NPC473490 |
0.6507 | Remote Similarity | NPC477246 |
0.6507 | Remote Similarity | NPC477245 |
0.6503 | Remote Similarity | NPC242355 |
0.65 | Remote Similarity | NPC6570 |
0.6497 | Remote Similarity | NPC12890 |
0.6497 | Remote Similarity | NPC272946 |
0.6494 | Remote Similarity | NPC244454 |
0.6494 | Remote Similarity | NPC71205 |
0.6492 | Remote Similarity | NPC472391 |
0.6488 | Remote Similarity | NPC469425 |
0.6485 | Remote Similarity | NPC110305 |
0.6483 | Remote Similarity | NPC477247 |
0.6481 | Remote Similarity | NPC272523 |
0.6481 | Remote Similarity | NPC325805 |
0.6478 | Remote Similarity | NPC477364 |
0.6474 | Remote Similarity | NPC477370 |
0.6474 | Remote Similarity | NPC213969 |
0.6474 | Remote Similarity | NPC295478 |
0.6474 | Remote Similarity | NPC67080 |
0.6474 | Remote Similarity | NPC165726 |
0.6471 | Remote Similarity | NPC35996 |
0.6471 | Remote Similarity | NPC474620 |
0.6471 | Remote Similarity | NPC469927 |
0.6467 | Remote Similarity | NPC314992 |
0.6467 | Remote Similarity | NPC310467 |
0.6467 | Remote Similarity | NPC237420 |
0.6463 | Remote Similarity | NPC477217 |
0.6463 | Remote Similarity | NPC201244 |
0.6463 | Remote Similarity | NPC241851 |
0.646 | Remote Similarity | NPC202729 |
0.646 | Remote Similarity | NPC236795 |
0.6456 | Remote Similarity | NPC45191 |
0.645 | Remote Similarity | NPC132810 |
0.645 | Remote Similarity | NPC51602 |
0.6446 | Remote Similarity | NPC127857 |
0.644 | Remote Similarity | NPC472375 |
0.644 | Remote Similarity | NPC472392 |
0.6438 | Remote Similarity | NPC28836 |
0.6438 | Remote Similarity | NPC311492 |
0.6433 | Remote Similarity | NPC114357 |
0.6433 | Remote Similarity | NPC259144 |
0.6433 | Remote Similarity | NPC212699 |
0.6433 | Remote Similarity | NPC469930 |
0.6433 | Remote Similarity | NPC474378 |
0.6433 | Remote Similarity | NPC474219 |
0.6433 | Remote Similarity | NPC155329 |
0.6433 | Remote Similarity | NPC197743 |
0.6433 | Remote Similarity | NPC207675 |
0.6433 | Remote Similarity | NPC251139 |
0.6433 | Remote Similarity | NPC297145 |
0.6429 | Remote Similarity | NPC60509 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC227905 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 |
---|---|---|---|
0.6928 | Remote Similarity | NPD4738 | Phase 2 |
0.679 | Remote Similarity | NPD7274 | Clinical (unspecified phase) |
0.6761 | Remote Similarity | NPD2067 | Discontinued |
0.6742 | Remote Similarity | NPD5030 | Phase 2 |
0.6728 | Remote Similarity | NPD2575 | Approved |
0.6704 | Remote Similarity | NPD5026 | Approved |
0.6704 | Remote Similarity | NPD5034 | Approved |
0.6704 | Remote Similarity | NPD36 | Approved |
0.6704 | Remote Similarity | NPD5028 | Approved |
0.6704 | Remote Similarity | NPD4955 | Approved |
0.6704 | Remote Similarity | NPD4954 | Approved |
0.6688 | Remote Similarity | NPD7966 | Clinical (unspecified phase) |
0.6647 | Remote Similarity | NPD7972 | Discontinued |
0.6644 | Remote Similarity | NPD690 | Clinical (unspecified phase) |
0.6631 | Remote Similarity | NPD8485 | Approved |
0.663 | Remote Similarity | NPD8407 | Phase 2 |
0.6593 | Remote Similarity | NPD5036 | Approved |
0.6592 | Remote Similarity | NPD3823 | Discontinued |
0.6581 | Remote Similarity | NPD3664 | Approved |
0.6581 | Remote Similarity | NPD3663 | Approved |
0.6581 | Remote Similarity | NPD3661 | Approved |
0.6581 | Remote Similarity | NPD3662 | Phase 3 |
0.6576 | Remote Similarity | NPD8435 | Approved |
0.6576 | Remote Similarity | NPD8361 | Approved |
0.6576 | Remote Similarity | NPD8360 | Approved |
0.6575 | Remote Similarity | NPD5035 | Approved |
0.6558 | Remote Similarity | NPD2627 | Approved |
0.6558 | Remote Similarity | NPD2159 | Approved |
0.6558 | Remote Similarity | NPD2628 | Approved |
0.6558 | Remote Similarity | NPD2626 | Approved |
0.6558 | Remote Similarity | NPD2625 | Approved |
0.6558 | Remote Similarity | NPD2160 | Approved |
0.6557 | Remote Similarity | NPD5038 | Approved |
0.6557 | Remote Similarity | NPD5037 | Approved |
0.6556 | Remote Similarity | NPD8368 | Discontinued |
0.6536 | Remote Similarity | NPD5157 | Phase 1 |
0.6536 | Remote Similarity | NPD5159 | Phase 2 |
0.6536 | Remote Similarity | NPD5158 | Clinical (unspecified phase) |
0.6526 | Remote Similarity | NPD8486 | Clinical (unspecified phase) |
0.6494 | Remote Similarity | NPD6325 | Discontinued |
0.6478 | Remote Similarity | NPD8265 | Approved |
0.6474 | Remote Similarity | NPD7565 | Approved |
0.6474 | Remote Similarity | NPD5204 | Approved |
0.6467 | Remote Similarity | NPD2218 | Phase 2 |
0.6467 | Remote Similarity | NPD8424 | Clinical (unspecified phase) |
0.6467 | Remote Similarity | NPD2217 | Approved |
0.6433 | Remote Similarity | NPD5203 | Approved |
0.6433 | Remote Similarity | NPD5201 | Approved |
0.6433 | Remote Similarity | NPD4617 | Approved |
0.6433 | Remote Similarity | NPD4620 | Approved |
0.6408 | Remote Similarity | NPD1237 | Approved |
0.6375 | Remote Similarity | NPD6309 | Approved |
0.6375 | Remote Similarity | NPD6311 | Approved |
0.6375 | Remote Similarity | NPD6310 | Approved |
0.6352 | Remote Similarity | NPD4621 | Approved |
0.6352 | Remote Similarity | NPD4619 | Approved |
0.634 | Remote Similarity | NPD4135 | Approved |
0.634 | Remote Similarity | NPD4136 | Approved |
0.634 | Remote Similarity | NPD4106 | Approved |
0.6337 | Remote Similarity | NPD7749 | Clinical (unspecified phase) |
0.6329 | Remote Similarity | NPD2613 | Approved |
0.6329 | Remote Similarity | NPD5202 | Clinical (unspecified phase) |
0.6316 | Remote Similarity | NPD5981 | Approved |
0.6313 | Remote Similarity | NPD4575 | Clinical (unspecified phase) |
0.6309 | Remote Similarity | NPD2629 | Approved |
0.6306 | Remote Similarity | NPD6007 | Clinical (unspecified phase) |
0.6299 | Remote Similarity | NPD4807 | Approved |
0.6299 | Remote Similarity | NPD4216 | Approved |
0.6299 | Remote Similarity | NPD2612 | Approved |
0.6299 | Remote Similarity | NPD4215 | Approved |
0.6299 | Remote Similarity | NPD2610 | Approved |
0.6299 | Remote Similarity | NPD4806 | Approved |
0.6299 | Remote Similarity | NPD2611 | Approved |
0.6299 | Remote Similarity | NPD3131 | Approved |
0.6299 | Remote Similarity | NPD2608 | Approved |
0.6299 | Remote Similarity | NPD4218 | Approved |
0.6299 | Remote Similarity | NPD4217 | Approved |
0.6299 | Remote Similarity | NPD3132 | Approved |
0.6299 | Remote Similarity | NPD2609 | Approved |
0.6296 | Remote Similarity | NPD8172 | Phase 2 |
0.6296 | Remote Similarity | NPD3528 | Clinical (unspecified phase) |
0.6296 | Remote Similarity | NPD8173 | Phase 2 |
0.6284 | Remote Similarity | NPD5031 | Approved |
0.6284 | Remote Similarity | NPD5027 | Approved |
0.6284 | Remote Similarity | NPD5029 | Approved |
0.6275 | Remote Similarity | NPD5305 | Approved |
0.6275 | Remote Similarity | NPD5306 | Approved |
0.6273 | Remote Similarity | NPD5119 | Approved |
0.6273 | Remote Similarity | NPD5121 | Approved |
0.6273 | Remote Similarity | NPD5120 | Approved |
0.6272 | Remote Similarity | NPD8389 | Clinical (unspecified phase) |
0.6259 | Remote Similarity | NPD4141 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD5032 | Approved |
0.6243 | Remote Similarity | NPD3819 | Phase 2 |
0.6242 | Remote Similarity | NPD2652 | Approved |
0.6242 | Remote Similarity | NPD7978 | Discontinued |
0.6242 | Remote Similarity | NPD2650 | Approved |
0.6237 | Remote Similarity | NPD3154 | Approved |
0.6237 | Remote Similarity | NPD3153 | Approved |
0.6235 | Remote Similarity | NPD7113 | Clinical (unspecified phase) |
0.6228 | Remote Similarity | NPD3400 | Discontinued |
0.6223 | Remote Similarity | NPD6836 | Approved |
0.6211 | Remote Similarity | NPD3616 | Approved |
0.6211 | Remote Similarity | NPD3088 | Approved |
0.6211 | Remote Similarity | NPD2571 | Approved |
0.6211 | Remote Similarity | NPD2572 | Clinical (unspecified phase) |
0.6211 | Remote Similarity | NPD3089 | Approved |
0.6211 | Remote Similarity | NPD2574 | Discontinued |
0.6211 | Remote Similarity | NPD2573 | Approved |
0.6211 | Remote Similarity | NPD3615 | Approved |
0.6211 | Remote Similarity | NPD2570 | Approved |
0.6211 | Remote Similarity | NPD3087 | Approved |
0.6211 | Remote Similarity | NPD3090 | Approved |
0.6211 | Remote Similarity | NPD4466 | Phase 1 |
0.6211 | Remote Similarity | NPD2566 | Approved |
0.6211 | Remote Similarity | NPD3614 | Approved |
0.6211 | Remote Similarity | NPD4746 | Phase 3 |
0.6211 | Remote Similarity | NPD4745 | Approved |
0.6209 | Remote Similarity | NPD4105 | Approved |
0.6209 | Remote Similarity | NPD8470 | Clinical (unspecified phase) |
0.6209 | Remote Similarity | NPD4102 | Approved |
0.6203 | Remote Similarity | NPD8150 | Discontinued |
0.6186 | Remote Similarity | NPD4914 | Approved |
0.6185 | Remote Similarity | NPD8417 | Discontinued |
0.6176 | Remote Similarity | NPD4662 | Approved |
0.6176 | Remote Similarity | NPD4661 | Approved |
0.6159 | Remote Similarity | NPD2569 | Approved |
0.6159 | Remote Similarity | NPD1348 | Approved |
0.6159 | Remote Similarity | NPD2567 | Approved |
0.6154 | Remote Similarity | NPD2163 | Approved |
0.6154 | Remote Similarity | NPD5108 | Clinical (unspecified phase) |
0.6154 | Remote Similarity | NPD3300 | Phase 2 |
0.615 | Remote Similarity | NPD7874 | Approved |
0.615 | Remote Similarity | NPD7875 | Clinical (unspecified phase) |
0.6149 | Remote Similarity | NPD3067 | Approved |
0.6145 | Remote Similarity | NPD4152 | Approved |
0.6135 | Remote Similarity | NPD4684 | Phase 3 |
0.6135 | Remote Similarity | NPD4685 | Phase 3 |
0.6135 | Remote Similarity | NPD4686 | Approved |
0.6127 | Remote Similarity | NPD3455 | Phase 2 |
0.6127 | Remote Similarity | NPD6591 | Clinical (unspecified phase) |
0.6127 | Remote Similarity | NPD8404 | Phase 2 |
0.6126 | Remote Similarity | NPD6214 | Clinical (unspecified phase) |
0.6126 | Remote Similarity | NPD6213 | Phase 3 |
0.6126 | Remote Similarity | NPD6212 | Phase 3 |
0.6119 | Remote Similarity | NPD7801 | Approved |
0.6114 | Remote Similarity | NPD6844 | Discontinued |
0.6114 | Remote Similarity | NPD7029 | Discontinued |
0.6111 | Remote Similarity | NPD6647 | Phase 2 |
0.6098 | Remote Similarity | NPD6817 | Clinical (unspecified phase) |
0.6096 | Remote Similarity | NPD467 | Phase 1 |
0.6094 | Remote Similarity | NPD6535 | Approved |
0.6094 | Remote Similarity | NPD6534 | Approved |
0.6092 | Remote Similarity | NPD4380 | Phase 2 |
0.609 | Remote Similarity | NPD6287 | Discontinued |
0.6089 | Remote Similarity | NPD8462 | Phase 1 |
0.6087 | Remote Similarity | NPD3136 | Phase 2 |
0.6084 | Remote Similarity | NPD4172 | Approved |
0.6084 | Remote Similarity | NPD4173 | Approved |
0.608 | Remote Similarity | NPD7460 | Discontinued |
0.6076 | Remote Similarity | NPD5667 | Approved |
0.6073 | Remote Similarity | NPD5968 | Phase 3 |
0.6069 | Remote Similarity | NPD7239 | Suspended |
0.6067 | Remote Similarity | NPD7075 | Discontinued |
0.6061 | Remote Similarity | NPD6852 | Discontinued |
0.6059 | Remote Similarity | NPD7236 | Approved |
0.6056 | Remote Similarity | NPD9495 | Approved |
0.6048 | Remote Similarity | NPD7702 | Clinical (unspecified phase) |
0.6045 | Remote Similarity | NPD5402 | Approved |
0.604 | Remote Similarity | NPD3643 | Approved |
0.604 | Remote Similarity | NPD3642 | Approved |
0.604 | Remote Similarity | NPD2181 | Clinical (unspecified phase) |
0.604 | Remote Similarity | NPD3644 | Approved |
0.6034 | Remote Similarity | NPD2651 | Approved |
0.6034 | Remote Similarity | NPD2649 | Approved |
0.6031 | Remote Similarity | NPD7282 | Approved |
0.6023 | Remote Similarity | NPD7011 | Discontinued |
0.6023 | Remote Similarity | NPD6801 | Discontinued |
0.602 | Remote Similarity | NPD6776 | Approved |
0.602 | Remote Similarity | NPD6779 | Approved |
0.602 | Remote Similarity | NPD6781 | Approved |
0.602 | Remote Similarity | NPD6780 | Approved |
0.602 | Remote Similarity | NPD6778 | Approved |
0.602 | Remote Similarity | NPD6777 | Approved |
0.602 | Remote Similarity | NPD6782 | Approved |
0.6013 | Remote Similarity | NPD182 | Clinical (unspecified phase) |
0.6013 | Remote Similarity | NPD3123 | Discovery |
0.6012 | Remote Similarity | NPD5403 | Approved |
0.6012 | Remote Similarity | NPD2424 | Discontinued |
0.6012 | Remote Similarity | NPD5729 | Clinical (unspecified phase) |
0.6011 | Remote Similarity | NPD3882 | Suspended |
0.6 | Remote Similarity | NPD7699 | Phase 2 |
0.6 | Remote Similarity | NPD4980 | Approved |
0.6 | Remote Similarity | NPD6190 | Approved |
0.6 | Remote Similarity | NPD7700 | Phase 2 |
0.5989 | Remote Similarity | NPD7096 | Clinical (unspecified phase) |
0.5988 | Remote Similarity | NPD6039 | Approved |
0.5988 | Remote Similarity | NPD5712 | Approved |
0.598 | Remote Similarity | NPD8320 | Phase 1 |
0.598 | Remote Similarity | NPD8319 | Approved |
PubChem CID   | 9845622 |
ChEMBL   | CHEMBL253179 |
ZINC   |
Molecular Weight:   | 431.16 |
ALogP:   | -1.9136 |
MLogP:   | 2.89 |
XLogP:   | 1.789 |
# Rotatable Bonds:   | 14 |
Polar Surface Area:   | 145.88 |
# H-Bond Aceptor:   | 9 |
# H-Bond Donor:   | 4 |
# Rings:   | 3 |
# Heavy Atoms:   | 31 |