Natural Product ID:   | NPC316274 |
Common Name:   | Chromomycin |
IUPAC Name:   | [6-[[(6S,7S)-6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-3-yl] acetate |
Synonyms:   | Chromomycin |
Molecular Formula:   | C57H82O26 |
Standard InCHIKey:   | ZYVSOIYQKUDENJ-MNGCYDFMSA-N |
Standard InCHI:   | InChI=1S/C57H82O26/c1-21-34(79-40-19-37(53(26(6)75-40)77-28(8)59)82-38-16-33(61)52(70-11)25(5)74-38)15-31-13-30-14-32(54(71-12)51(68)46(63)22(2)58)55(50(67)44(30)49(66)43(31)45(21)62)83-41-18-35(47(64)24(4)73-41)80-39-17-36(48(65)23(3)72-39)81-42-20-57(10,69)56(27(7)76-42)78-29(9)60/h13,15,22-27,32-33,35-42,46-48,52-56,58,61-66,69H,14,16-20H2,1-12H3/t22-,23?,24?,25?,26?,27?,32+,33?,35?,36?,37?,38?,39?,40?,41?,42?,46+,47?,48?,52?,53?,54+,55+,56?,57?/m1/s1 |
Canonical SMILES:   | CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)OC)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)[C@H]1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)[C@H]([C@H](O)C)O |
First Find Year:   | |
Max Developmental Stage:   | |
Synthetic Gene Cluster:   | BGC0000210 ; |
Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO6232 | Streptomyces griseus | Species | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO2841 | Streptomyces cavourensis | Species | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO6232.31 | Streptomyces griseus griseus | Subspecies | Streptomycetaceae | Bacteria | StreptomeDB* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | IC50 | = | 3500 | nM | 14667232 |
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | 10.12 | nM | PubChem BioAssay data set | |
NPT367 | Cell Line | MDA-N | Homo sapiens | GI50 | 0.03148 | nM | PubChem BioAssay data set | |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | 0.0471 | nM | PubChem BioAssay data set | |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | 61.38 | nM | PubChem BioAssay data set | |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | 0.02477 | nM | PubChem BioAssay data set | |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | 12.71 | nM | PubChem BioAssay data set | |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | 3.258 | nM | PubChem BioAssay data set | |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | 3.281 | nM | PubChem BioAssay data set | |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | 3.802 | nM | PubChem BioAssay data set | |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | 5.662 | nM | PubChem BioAssay data set | |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT379 | Cell Line | HOP-62 | Homo sapiens | GI50 | 3.548 | nM | PubChem BioAssay data set | |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | 749.89 | nM | PubChem BioAssay data set | |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | 3.436 | nM | PubChem BioAssay data set | |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | GI50 | 0.02999 | nM | PubChem BioAssay data set | |
NPT572 | Cell Line | DMS-273 | Homo sapiens | GI50 | 0.001888 | nM | PubChem BioAssay data set | |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | 4.236 | nM | PubChem BioAssay data set | |
NPT384 | Cell Line | TK-10 | Homo sapiens | GI50 | 0.1191 | nM | PubChem BioAssay data set | |
NPT385 | Cell Line | SR | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT573 | Cell Line | M19-MEL | Homo sapiens | GI50 | 3.365 | nM | PubChem BioAssay data set | |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | 3.656 | nM | PubChem BioAssay data set | |
NPT574 | Cell Line | XF498 | Homo sapiens | GI50 | 3.148 | nM | PubChem BioAssay data set | |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | 0.02472 | nM | PubChem BioAssay data set | |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI50 | 3.648 | nM | PubChem BioAssay data set | |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | GI50 | 3.475 | nM | PubChem BioAssay data set | |
NPT168 | Cell Line | P388 | Mus musculus | GI50 | 0.004887 | nM | PubChem BioAssay data set | |
NPT457 | Cell Line | BT-549 | Homo sapiens | GI50 | 0.01489 | nM | PubChem BioAssay data set | |
NPT575 | Cell Line | KM-20L2 | Homo sapiens | GI50 | 3.972 | nM | PubChem BioAssay data set | |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | 3.614 | nM | PubChem BioAssay data set | |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | 3.819 | nM | PubChem BioAssay data set | |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | 13.84 | nM | PubChem BioAssay data set | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | 3.334 | nM | PubChem BioAssay data set | |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | 3.573 | nM | PubChem BioAssay data set | |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | 5.321 | nM | PubChem BioAssay data set | |
NPT306 | Cell Line | PC-3 | Homo sapiens | GI50 | 0.03573 | nM | PubChem BioAssay data set | |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | 3.119 | nM | PubChem BioAssay data set | |
NPT576 | Cell Line | DMS-114 | Homo sapiens | GI50 | 0.02143 | nM | PubChem BioAssay data set | |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | 6.73 | nM | PubChem BioAssay data set | |
NPT396 | Cell Line | T47D | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | 13.34 | nM | PubChem BioAssay data set | |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | 2.951 | nM | PubChem BioAssay data set | |
NPT552 | Cell Line | P388/ADR | Mus musculus | GI50 | 132.13 | nM | PubChem BioAssay data set | |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | GI50 | 0.02438 | nM | PubChem BioAssay data set | |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | 13.9 | nM | PubChem BioAssay data set | |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | 10.09 | nM | PubChem BioAssay data set | |
NPT402 | Cell Line | Hs-578T | Homo sapiens | GI50 | 0.02133 | nM | PubChem BioAssay data set | |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | 0.07762 | nM | PubChem BioAssay data set | |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT578 | Cell Line | SNB-78 | Homo sapiens | GI50 | 3.373 | nM | PubChem BioAssay data set | |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT579 | Cell Line | DLD-1 | Homo sapiens | GI50 | 8.492 | nM | PubChem BioAssay data set | |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | 3.681 | nM | PubChem BioAssay data set | |
NPT406 | Cell Line | RXF 393 | Homo sapiens | GI50 | 3.112 | nM | PubChem BioAssay data set | |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | 10 | nM | PubChem BioAssay data set | |
NPT732 | Cell Line | HOP-18 | Homo sapiens | GI50 | 4.446 | nM | PubChem BioAssay data set | |
NPT738 | Cell Line | SN12K1 | Homo sapiens | GI50 | 3.396 | nM | PubChem BioAssay data set |
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 NPC316274 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 | NPC470196 |
1.0 | High Similarity | NPC470194 |
1.0 | High Similarity | NPC470197 |
1.0 | High Similarity | NPC470193 |
1.0 | High Similarity | NPC470200 |
1.0 | High Similarity | NPC470198 |
1.0 | High Similarity | NPC470195 |
1.0 | High Similarity | NPC282474 |
0.9886 | High Similarity | NPC470199 |
0.9886 | High Similarity | NPC314459 |
0.9389 | High Similarity | NPC48474 |
0.9205 | High Similarity | NPC474345 |
0.9189 | High Similarity | NPC131405 |
0.9167 | High Similarity | NPC475220 |
0.9167 | High Similarity | NPC221140 |
0.9167 | High Similarity | NPC229817 |
0.9167 | High Similarity | NPC473686 |
0.9167 | High Similarity | NPC475352 |
0.913 | High Similarity | NPC314687 |
0.9121 | High Similarity | NPC314672 |
0.9106 | High Similarity | NPC470452 |
0.9106 | High Similarity | NPC477860 |
0.9106 | High Similarity | NPC470448 |
0.9106 | High Similarity | NPC164047 |
0.9106 | High Similarity | NPC475161 |
0.9106 | High Similarity | NPC470453 |
0.9096 | High Similarity | NPC63105 |
0.9061 | High Similarity | NPC241847 |
0.9061 | High Similarity | NPC87583 |
0.9056 | High Similarity | NPC475662 |
0.9056 | High Similarity | NPC313452 |
0.9056 | High Similarity | NPC473631 |
0.9056 | High Similarity | NPC293227 |
0.9056 | High Similarity | NPC473717 |
0.905 | High Similarity | NPC245059 |
0.905 | High Similarity | NPC84494 |
0.9045 | High Similarity | NPC46958 |
0.904 | High Similarity | NPC213052 |
0.9034 | High Similarity | NPC298778 |
0.9011 | High Similarity | NPC294863 |
0.9011 | High Similarity | NPC282636 |
0.9 | High Similarity | NPC315221 |
0.8989 | High Similarity | NPC68381 |
0.8944 | High Similarity | NPC72783 |
0.8939 | High Similarity | NPC475246 |
0.8939 | High Similarity | NPC176246 |
0.8933 | High Similarity | NPC472054 |
0.8901 | High Similarity | NPC75574 |
0.8901 | High Similarity | NPC106700 |
0.8895 | High Similarity | NPC85316 |
0.8895 | High Similarity | NPC197357 |
0.8889 | High Similarity | NPC477682 |
0.8889 | High Similarity | NPC477683 |
0.8883 | High Similarity | NPC199533 |
0.8883 | High Similarity | NPC470454 |
0.8883 | High Similarity | NPC3718 |
0.8876 | High Similarity | NPC76128 |
0.8876 | High Similarity | NPC5029 |
0.8876 | High Similarity | NPC111536 |
0.8876 | High Similarity | NPC271385 |
0.8876 | High Similarity | NPC30432 |
0.887 | High Similarity | NPC259905 |
0.8865 | High Similarity | NPC264302 |
0.8864 | High Similarity | NPC178851 |
0.884 | High Similarity | NPC299149 |
0.884 | High Similarity | NPC153578 |
0.884 | High Similarity | NPC114257 |
0.884 | High Similarity | NPC277710 |
0.8833 | High Similarity | NPC475233 |
0.8827 | High Similarity | NPC65118 |
0.882 | High Similarity | NPC209550 |
0.882 | High Similarity | NPC175429 |
0.882 | High Similarity | NPC277532 |
0.882 | High Similarity | NPC138990 |
0.8814 | High Similarity | NPC249977 |
0.8798 | High Similarity | NPC292706 |
0.8798 | High Similarity | NPC224557 |
0.8791 | High Similarity | NPC208069 |
0.8778 | High Similarity | NPC470667 |
0.8771 | High Similarity | NPC288152 |
0.8771 | High Similarity | NPC257011 |
0.8771 | High Similarity | NPC137871 |
0.8771 | High Similarity | NPC183441 |
0.8771 | High Similarity | NPC9002 |
0.8764 | High Similarity | NPC473202 |
0.8764 | High Similarity | NPC5319 |
0.875 | High Similarity | NPC33083 |
0.8729 | High Similarity | NPC469345 |
0.8729 | High Similarity | NPC324220 |
0.8729 | High Similarity | NPC312630 |
0.8729 | High Similarity | NPC289876 |
0.8722 | High Similarity | NPC168789 |
0.8722 | High Similarity | NPC470335 |
0.8722 | High Similarity | NPC470336 |
0.8722 | High Similarity | NPC98776 |
0.8715 | High Similarity | NPC210808 |
0.8715 | High Similarity | NPC199079 |
0.871 | High Similarity | NPC201814 |
0.8703 | High Similarity | NPC105591 |
0.8701 | High Similarity | NPC99216 |
0.8701 | High Similarity | NPC7752 |
0.8696 | High Similarity | NPC275977 |
0.8696 | High Similarity | NPC223860 |
0.8696 | High Similarity | NPC249560 |
0.8696 | High Similarity | NPC318119 |
0.8677 | High Similarity | NPC3474 |
0.8674 | High Similarity | NPC98667 |
0.8674 | High Similarity | NPC232412 |
0.8674 | High Similarity | NPC307754 |
0.8674 | High Similarity | NPC70862 |
0.8674 | High Similarity | NPC86809 |
0.8674 | High Similarity | NPC186800 |
0.8674 | High Similarity | NPC223735 |
0.8667 | High Similarity | NPC470715 |
0.8667 | High Similarity | NPC470714 |
0.8667 | High Similarity | NPC470716 |
0.8667 | High Similarity | NPC474522 |
0.8659 | High Similarity | NPC222455 |
0.8656 | High Similarity | NPC205721 |
0.8652 | High Similarity | NPC477613 |
0.8652 | High Similarity | NPC476470 |
0.8652 | High Similarity | NPC68592 |
0.8652 | High Similarity | NPC186816 |
0.8652 | High Similarity | NPC221342 |
0.8652 | High Similarity | NPC203145 |
0.8652 | High Similarity | NPC12013 |
0.8652 | High Similarity | NPC262222 |
0.8652 | High Similarity | NPC11432 |
0.8652 | High Similarity | NPC32641 |
0.8652 | High Similarity | NPC189564 |
0.8652 | High Similarity | NPC142142 |
0.8652 | High Similarity | NPC256188 |
0.8652 | High Similarity | NPC298666 |
0.8652 | High Similarity | NPC64425 |
0.8649 | High Similarity | NPC295625 |
0.8649 | High Similarity | NPC470719 |
0.8649 | High Similarity | NPC473554 |
0.8641 | High Similarity | NPC162394 |
0.8641 | High Similarity | NPC156785 |
0.8641 | High Similarity | NPC241781 |
0.8641 | High Similarity | NPC321916 |
0.8634 | High Similarity | NPC58538 |
0.8634 | High Similarity | NPC212290 |
0.8634 | High Similarity | NPC283980 |
0.8634 | High Similarity | NPC192539 |
0.8634 | High Similarity | NPC187441 |
0.8626 | High Similarity | NPC202908 |
0.8626 | High Similarity | NPC292019 |
0.8626 | High Similarity | NPC48984 |
0.8626 | High Similarity | NPC122467 |
0.8626 | High Similarity | NPC473862 |
0.8626 | High Similarity | NPC231787 |
0.8626 | High Similarity | NPC66820 |
0.8626 | High Similarity | NPC170018 |
0.8626 | High Similarity | NPC255799 |
0.8626 | High Similarity | NPC92403 |
0.8626 | High Similarity | NPC471669 |
0.8626 | High Similarity | NPC89127 |
0.8626 | High Similarity | NPC198893 |
0.8626 | High Similarity | NPC232818 |
0.8626 | High Similarity | NPC76112 |
0.8626 | High Similarity | NPC314489 |
0.8626 | High Similarity | NPC14187 |
0.8619 | High Similarity | NPC25724 |
0.8619 | High Similarity | NPC154986 |
0.8619 | High Similarity | NPC85368 |
0.8619 | High Similarity | NPC203751 |
0.8619 | High Similarity | NPC229051 |
0.8619 | High Similarity | NPC131862 |
0.8619 | High Similarity | NPC476311 |
0.8611 | High Similarity | NPC241874 |
0.8611 | High Similarity | NPC477573 |
0.8611 | High Similarity | NPC477572 |
0.8611 | High Similarity | NPC241387 |
0.8611 | High Similarity | NPC164704 |
0.8611 | High Similarity | NPC76047 |
0.8611 | High Similarity | NPC251144 |
0.8611 | High Similarity | NPC477571 |
0.8611 | High Similarity | NPC478021 |
0.8611 | High Similarity | NPC470712 |
0.8603 | High Similarity | NPC472622 |
0.8602 | High Similarity | NPC97817 |
0.8602 | High Similarity | NPC65489 |
0.8602 | High Similarity | NPC30011 |
0.8602 | High Similarity | NPC64755 |
0.8602 | High Similarity | NPC72554 |
0.8596 | High Similarity | NPC292929 |
0.8596 | High Similarity | NPC289667 |
0.8596 | High Similarity | NPC135358 |
0.8596 | High Similarity | NPC76831 |
0.8596 | High Similarity | NPC287889 |
0.8596 | High Similarity | NPC475979 |
0.8595 | High Similarity | NPC470713 |
0.8595 | High Similarity | NPC460984 |
0.8595 | High Similarity | NPC231254 |
0.8595 | High Similarity | NPC470455 |
0.8595 | High Similarity | NPC25946 |
0.8595 | High Similarity | NPC470720 |
0.8595 | High Similarity | NPC21359 |
0.8595 | High Similarity | NPC470717 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC316274 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 |
---|---|---|---|
0.8804 | High Similarity | NPD7879 | Clinical (unspecified phase) |
0.8764 | High Similarity | NPD7804 | Clinical (unspecified phase) |
0.8626 | High Similarity | NPD8312 | Approved |
0.8626 | High Similarity | NPD8313 | Approved |
0.8571 | High Similarity | NPD7808 | Phase 3 |
0.8516 | High Similarity | NPD7251 | Discontinued |
0.8462 | Intermediate Similarity | NPD6797 | Phase 2 |
0.8407 | Intermediate Similarity | NPD7074 | Phase 3 |
0.8333 | Intermediate Similarity | NPD7782 | Clinical (unspecified phase) |
0.8333 | Intermediate Similarity | NPD7783 | Phase 2 |
0.8325 | Intermediate Similarity | NPD8151 | Discontinued |
0.8324 | Intermediate Similarity | NPD6959 | Discontinued |
0.8306 | Intermediate Similarity | NPD7472 | Approved |
0.827 | Intermediate Similarity | NPD4338 | Clinical (unspecified phase) |
0.8258 | Intermediate Similarity | NPD7075 | Discontinued |
0.8256 | Intermediate Similarity | NPD7435 | Discontinued |
0.8251 | Intermediate Similarity | NPD7054 | Approved |
0.8216 | Intermediate Similarity | NPD6559 | Discontinued |
0.8214 | Intermediate Similarity | NPD8320 | Phase 1 |
0.8214 | Intermediate Similarity | NPD8319 | Approved |
0.8156 | Intermediate Similarity | NPD4381 | Clinical (unspecified phase) |
0.8146 | Intermediate Similarity | NPD8443 | Clinical (unspecified phase) |
0.8142 | Intermediate Similarity | NPD7473 | Discontinued |
0.81 | Intermediate Similarity | NPD7874 | Approved |
0.81 | Intermediate Similarity | NPD7875 | Clinical (unspecified phase) |
0.809 | Intermediate Similarity | NPD7819 | Suspended |
0.809 | Intermediate Similarity | NPD7096 | Clinical (unspecified phase) |
0.8087 | Intermediate Similarity | NPD6167 | Clinical (unspecified phase) |
0.8087 | Intermediate Similarity | NPD6166 | Phase 2 |
0.8087 | Intermediate Similarity | NPD6168 | Clinical (unspecified phase) |
0.8071 | Intermediate Similarity | NPD7698 | Approved |
0.8071 | Intermediate Similarity | NPD7696 | Phase 3 |
0.8071 | Intermediate Similarity | NPD7697 | Approved |
0.8065 | Intermediate Similarity | NPD7993 | Clinical (unspecified phase) |
0.801 | Intermediate Similarity | NPD6779 | Approved |
0.801 | Intermediate Similarity | NPD6780 | Approved |
0.801 | Intermediate Similarity | NPD6778 | Approved |
0.801 | Intermediate Similarity | NPD6776 | Approved |
0.801 | Intermediate Similarity | NPD6782 | Approved |
0.801 | Intermediate Similarity | NPD6781 | Approved |
0.801 | Intermediate Similarity | NPD6777 | Approved |
0.8 | Intermediate Similarity | NPD7701 | Phase 2 |
0.8 | Intermediate Similarity | NPD7228 | Approved |
0.7989 | Intermediate Similarity | NPD7852 | Clinical (unspecified phase) |
0.7978 | Intermediate Similarity | NPD6232 | Discontinued |
0.7957 | Intermediate Similarity | NPD5844 | Phase 1 |
0.794 | Intermediate Similarity | NPD7870 | Phase 2 |
0.794 | Intermediate Similarity | NPD7871 | Phase 2 |
0.7933 | Intermediate Similarity | NPD6801 | Discontinued |
0.7917 | Intermediate Similarity | NPD8397 | Clinical (unspecified phase) |
0.7908 | Intermediate Similarity | NPD7700 | Phase 2 |
0.7908 | Intermediate Similarity | NPD7699 | Phase 2 |
0.7906 | Intermediate Similarity | NPD8150 | Discontinued |
0.7903 | Intermediate Similarity | NPD3751 | Discontinued |
0.7903 | Intermediate Similarity | NPD3818 | Discontinued |
0.7889 | Intermediate Similarity | NPD8455 | Phase 2 |
0.7882 | Intermediate Similarity | NPD7801 | Approved |
0.788 | Intermediate Similarity | NPD3787 | Discontinued |
0.7877 | Intermediate Similarity | NPD7411 | Suspended |
0.7821 | Intermediate Similarity | NPD4380 | Phase 2 |
0.7802 | Intermediate Similarity | NPD4868 | Clinical (unspecified phase) |
0.779 | Intermediate Similarity | NPD2393 | Clinical (unspecified phase) |
0.776 | Intermediate Similarity | NPD8055 | Clinical (unspecified phase) |
0.7755 | Intermediate Similarity | NPD6534 | Approved |
0.7755 | Intermediate Similarity | NPD6535 | Approved |
0.7747 | Intermediate Similarity | NPD5402 | Approved |
0.7747 | Intermediate Similarity | NPD3817 | Phase 2 |
0.7737 | Intermediate Similarity | NPD7240 | Approved |
0.7722 | Intermediate Similarity | NPD6599 | Discontinued |
0.7714 | Intermediate Similarity | NPD8155 | Clinical (unspecified phase) |
0.7667 | Intermediate Similarity | NPD3226 | Approved |
0.7662 | Intermediate Similarity | NPD6823 | Phase 2 |
0.764 | Intermediate Similarity | NPD2533 | Approved |
0.764 | Intermediate Similarity | NPD4378 | Clinical (unspecified phase) |
0.764 | Intermediate Similarity | NPD2532 | Approved |
0.764 | Intermediate Similarity | NPD2534 | Approved |
0.7637 | Intermediate Similarity | NPD1934 | Approved |
0.7637 | Intermediate Similarity | NPD37 | Approved |
0.7629 | Intermediate Similarity | NPD8434 | Phase 2 |
0.7622 | Intermediate Similarity | NPD6234 | Discontinued |
0.7609 | Intermediate Similarity | NPD4967 | Phase 2 |
0.7609 | Intermediate Similarity | NPD4965 | Approved |
0.7609 | Intermediate Similarity | NPD7768 | Phase 2 |
0.7609 | Intermediate Similarity | NPD4966 | Approved |
0.7596 | Intermediate Similarity | NPD1465 | Phase 2 |
0.7584 | Intermediate Similarity | NPD6799 | Approved |
0.7581 | Intermediate Similarity | NPD5494 | Approved |
0.7568 | Intermediate Similarity | NPD3749 | Approved |
0.7556 | Intermediate Similarity | NPD5403 | Approved |
0.7553 | Intermediate Similarity | NPD7184 | Clinical (unspecified phase) |
0.7514 | Intermediate Similarity | NPD3882 | Suspended |
0.7473 | Intermediate Similarity | NPD7458 | Discontinued |
0.7447 | Intermediate Similarity | NPD7199 | Phase 2 |
0.7444 | Intermediate Similarity | NPD7410 | Clinical (unspecified phase) |
0.7444 | Intermediate Similarity | NPD5401 | Approved |
0.7413 | Intermediate Similarity | NPD8090 | Clinical (unspecified phase) |
0.7405 | Intermediate Similarity | NPD2801 | Approved |
0.7401 | Intermediate Similarity | NPD970 | Clinical (unspecified phase) |
0.7389 | Intermediate Similarity | NPD7390 | Discontinued |
0.7377 | Intermediate Similarity | NPD5808 | Clinical (unspecified phase) |
0.7371 | Intermediate Similarity | NPD7685 | Pre-registration |
0.7345 | Intermediate Similarity | NPD1550 | Clinical (unspecified phase) |
0.7345 | Intermediate Similarity | NPD1552 | Clinical (unspecified phase) |
0.7308 | Intermediate Similarity | NPD1512 | Approved |
0.7303 | Intermediate Similarity | NPD1549 | Phase 2 |
0.7264 | Intermediate Similarity | NPD6213 | Phase 3 |
0.7264 | Intermediate Similarity | NPD6214 | Clinical (unspecified phase) |
0.7264 | Intermediate Similarity | NPD6212 | Phase 3 |
0.7264 | Intermediate Similarity | NPD7930 | Approved |
0.7263 | Intermediate Similarity | NPD7421 | Clinical (unspecified phase) |
0.726 | Intermediate Similarity | NPD7584 | Approved |
0.7255 | Intermediate Similarity | NPD7237 | Clinical (unspecified phase) |
0.7255 | Intermediate Similarity | NPD8285 | Discontinued |
0.7253 | Intermediate Similarity | NPD7004 | Clinical (unspecified phase) |
0.7247 | Intermediate Similarity | NPD2346 | Discontinued |
0.7225 | Intermediate Similarity | NPD5710 | Approved |
0.7225 | Intermediate Similarity | NPD5711 | Approved |
0.7222 | Intermediate Similarity | NPD3750 | Approved |
0.7222 | Intermediate Similarity | NPD6398 | Clinical (unspecified phase) |
0.7222 | Intermediate Similarity | NPD4628 | Phase 3 |
0.7212 | Intermediate Similarity | NPD7211 | Clinical (unspecified phase) |
0.7198 | Intermediate Similarity | NPD1511 | Approved |
0.7198 | Intermediate Similarity | NPD7680 | Approved |
0.7191 | Intermediate Similarity | NPD6100 | Approved |
0.7191 | Intermediate Similarity | NPD6099 | Approved |
0.7173 | Intermediate Similarity | NPD1247 | Approved |
0.7167 | Intermediate Similarity | NPD6674 | Discontinued |
0.7158 | Intermediate Similarity | NPD919 | Approved |
0.7136 | Intermediate Similarity | NPD8058 | Clinical (unspecified phase) |
0.7136 | Intermediate Similarity | NPD8059 | Phase 3 |
0.7135 | Intermediate Similarity | NPD1509 | Clinical (unspecified phase) |
0.7135 | Intermediate Similarity | NPD7229 | Phase 3 |
0.7117 | Intermediate Similarity | NPD8067 | Phase 3 |
0.7095 | Intermediate Similarity | NPD2796 | Approved |
0.7081 | Intermediate Similarity | NPD6980 | Clinical (unspecified phase) |
0.7078 | Intermediate Similarity | NPD5619 | Clinical (unspecified phase) |
0.7077 | Intermediate Similarity | NPD7799 | Discontinued |
0.7064 | Intermediate Similarity | NPD8366 | Approved |
0.7062 | Intermediate Similarity | NPD7585 | Approved |
0.7053 | Intermediate Similarity | NPD7501 | Clinical (unspecified phase) |
0.7039 | Intermediate Similarity | NPD1510 | Phase 2 |
0.7033 | Intermediate Similarity | NPD1878 | Clinical (unspecified phase) |
0.7022 | Intermediate Similarity | NPD1607 | Approved |
0.7014 | Intermediate Similarity | NPD7583 | Approved |
0.7006 | Intermediate Similarity | NPD4060 | Phase 1 |
0.7 | Intermediate Similarity | NPD2935 | Discontinued |
0.7 | Intermediate Similarity | NPD1551 | Phase 2 |
0.6995 | Remote Similarity | NPD6190 | Approved |
0.6989 | Remote Similarity | NPD920 | Approved |
0.6982 | Remote Similarity | NPD8469 | Approved |
0.6979 | Remote Similarity | NPD5537 | Clinical (unspecified phase) |
0.6978 | Remote Similarity | NPD2800 | Approved |
0.6973 | Remote Similarity | NPD7422 | Clinical (unspecified phase) |
0.697 | Remote Similarity | NPD5953 | Discontinued |
0.6967 | Remote Similarity | NPD7999 | Approved |
0.6954 | Remote Similarity | NPD7286 | Phase 2 |
0.6952 | Remote Similarity | NPD1653 | Approved |
0.6944 | Remote Similarity | NPD2799 | Discontinued |
0.6944 | Remote Similarity | NPD3748 | Approved |
0.694 | Remote Similarity | NPD7003 | Approved |
0.6937 | Remote Similarity | NPD8491 | Approved |
0.6923 | Remote Similarity | NPD3926 | Phase 2 |
0.691 | Remote Similarity | NPD1240 | Approved |
0.6906 | Remote Similarity | NPD5404 | Approved |
0.6906 | Remote Similarity | NPD5405 | Approved |
0.6906 | Remote Similarity | NPD5406 | Approved |
0.6906 | Remote Similarity | NPD5408 | Approved |
0.6904 | Remote Similarity | NPD7893 | Clinical (unspecified phase) |
0.6893 | Remote Similarity | NPD6859 | Clinical (unspecified phase) |
0.6889 | Remote Similarity | NPD7097 | Phase 1 |
0.6885 | Remote Similarity | NPD1243 | Approved |
0.6882 | Remote Similarity | NPD642 | Clinical (unspecified phase) |
0.6872 | Remote Similarity | NPD6355 | Discontinued |
0.6868 | Remote Similarity | NPD7266 | Discontinued |
0.685 | Remote Similarity | NPD8368 | Discontinued |
0.6845 | Remote Similarity | NPD6273 | Approved |
0.6842 | Remote Similarity | NPD7615 | Clinical (unspecified phase) |
0.6836 | Remote Similarity | NPD4625 | Phase 3 |
0.6833 | Remote Similarity | NPD6651 | Approved |
0.6832 | Remote Similarity | NPD7090 | Clinical (unspecified phase) |
0.6828 | Remote Similarity | NPD6143 | Clinical (unspecified phase) |
0.6821 | Remote Similarity | NPD8127 | Discontinued |
0.6818 | Remote Similarity | NPD7177 | Discontinued |
0.6816 | Remote Similarity | NPD4419 | Clinical (unspecified phase) |
0.6812 | Remote Similarity | NPD4360 | Phase 2 |
0.6812 | Remote Similarity | NPD4363 | Phase 3 |
0.6804 | Remote Similarity | NPD8404 | Phase 2 |
0.6802 | Remote Similarity | NPD7784 | Clinical (unspecified phase) |
0.6802 | Remote Similarity | NPD2403 | Approved |
0.6798 | Remote Similarity | NPD4907 | Clinical (unspecified phase) |
0.6798 | Remote Similarity | NPD6798 | Discontinued |
0.678 | Remote Similarity | NPD4287 | Approved |
0.6778 | Remote Similarity | NPD5124 | Phase 1 |
0.6778 | Remote Similarity | NPD5123 | Clinical (unspecified phase) |
0.6776 | Remote Similarity | NPD5763 | Approved |
0.6776 | Remote Similarity | NPD5762 | Approved |
0.6774 | Remote Similarity | NPD643 | Clinical (unspecified phase) |
0.6749 | Remote Similarity | NPD8407 | Phase 2 |
0.6721 | Remote Similarity | NPD2438 | Suspended |
0.6704 | Remote Similarity | NPD3268 | Approved |
PubChem CID   | 5351560 |
ChEMBL   | CHEMBL409466 |
ZINC   |
Molecular Weight:   | 1182.51 |
ALogP:   | -6.9038 |
MLogP:   | 4.87 |
XLogP:   | -0.473 |
# Rotatable Bonds:   | 40 |
Polar Surface Area:   | 359.34 |
# H-Bond Aceptor:   | 23 |
# H-Bond Donor:   | 8 |
# Rings:   | 8 |
# Heavy Atoms:   | 83 |