Natural Product ID:   | NPC214702 |
Common Name:   | (-)-(R)-Mellein |
IUPAC Name:   | (3R)-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one |
Synonyms:   | (R)-Mellein |
Molecular Formula:   | C10H10O3 |
Standard InCHIKey:   | KWILGNNWGSNMPA-ZCFIWIBFSA-N |
Standard InCHI:   | InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3/t6-/m1/s1 |
Canonical SMILES:   | C[C@@H]1Cc2cccc(c2C(=O)O1)O |
First Find Year:   | |
Max Developmental Stage:   | |
Synthetic Gene Cluster:   | BGC0001244 ; |
Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO2421 | Picea glauca | Species | Pinaceae | Eukaryota |
PMID[18636777] |
|||
NPO4064 | Halimodendron halodendron | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO7811 | Scleronephthya pallida | Species | Nephtheidae | Eukaryota | UNPD* | |||
NPO24931 | Myelochroa aurulenta | Species | Parmeliaceae | Eukaryota | UNPD* | |||
NPO5981 | Achlys triphylla | Species | Berberidaceae | Eukaryota | UNPD* | |||
NPO7534 | Leptogorgia sarmentosa | Species | Gorgoniidae | Eukaryota | UNPD* | |||
NPO15597 | Calystegia pubescens | Species | Convolvulaceae | Eukaryota | UNPD* | |||
NPO10376 | Arcyria denudata | Species | Trichiidae | Eukaryota | UNPD* | |||
NPO25216 | Senecio vellereus | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO10056 | Nicotiana sylvestris | Species | Solanaceae | Eukaryota | UNPD* | |||
NPO7770 | Lactuca laciniata | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO10391 | Dolomiaea souliei | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO27924 | Serpocaulon triseriale | Species | Polypodiaceae | Eukaryota | UNPD* | |||
NPO4117 | Nauclea rhynchophylla | Species | Rubiaceae | Eukaryota | UNPD* | |||
NPO8560 | Aplidium tabascum | Species | Polyclinidae | Eukaryota | UNPD* | |||
NPO9717 | Wibelia divaricata | Species | Davalliaceae | Eukaryota | UNPD* | |||
NPO1539 | Artemisia giraldii | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO29287 | Alectoria ochroleuca | Species | Parmeliaceae | Eukaryota | UNPD* | |||
NPO5588 | Bursera tonkinensis | Species | Burseraceae | Eukaryota | UNPD* | |||
NPO691 | Tarchonanthus camphoratus | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO10849 | Eucalyptus camaldulensis | Species | Myrtaceae | Eukaryota | UNPD* | |||
NPO16885 | Phonus arborescens | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO3449 | Lonicera hypoleuca | Species | Caprifoliaceae | Eukaryota | UNPD* | |||
NPO99 | Artemisia porrecta | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO3415 | Perymenium mendezii | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO4952 | Pertusaria amara | Species | Pertusariaceae | Eukaryota | UNPD* | |||
NPO6249 | Garcinia mangostana | Species | Clusiaceae | Eukaryota | UNPD* | |||
NPO16865.1 | Prunus serrulata var. spontanea | Varieties | Rosaceae | Eukaryota | UNPD* | |||
NPO10221 | Streptomyces alboniger | Species | Streptomycetaceae | Bacteria | UNPD* | |||
NPO7464 | Uruparia lanosa | NA | NA | NA | UNPD* | |||
NPO3263 | Thea sasanqua | NA | NA | NA | UNPD* | |||
NPO12600 | Trametes cinnabarina | Species | Coriolaceae | Eukaryota | UNPD* | |||
NPO855 | Elymnias thryallis | Species | Nymphalidae | Eukaryota | UNPD* | |||
NPO8927 | Poria selecta | Species | Coccinellidae | Eukaryota | UNPD* | |||
NPO6844 | Bulbophyllum protractum | Species | Orchidaceae | Eukaryota | UNPD* | |||
NPO2421 | Picea glauca | Species | Pinaceae | Eukaryota | UNPD* | |||
NPO7155 | Cypripedium calceolus | Species | Orchidaceae | Eukaryota | UNPD* | |||
NPO284 | Albizia procera | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO2963 | Diospyros glaucifolia | Species | Ebenaceae | Eukaryota | UNPD* | |||
NPO3963 | Hortonia floribunda | Species | Monimiaceae | Eukaryota | UNPD* | |||
NPO7616 | Melanargia galathea | Species | Nymphalidae | Eukaryota | UNPD* | |||
NPO3707 | Chromatium okenii | Species | Chromatiaceae | Bacteria | UNPD* | |||
NPO9741 | Actinopyga agassizi | Species | Holothuriidae | Eukaryota | UNPD* | |||
NPO19432 | Millettia pinnata | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO4421 | Penicillium cyclopium | Species | Aspergillaceae | Eukaryota | UNPD* | |||
NPO3255 | Lampranthus sociorum | Species | Aizoaceae | Eukaryota | UNPD* | |||
NPO8354 | Aster bellidiastrum | Species | Asteraceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT960 | Organism | Medicago sativa | Medicago sativa | GI | = | 100 | % | 10.1016/S0953-7562(09)80766-1 |
NPT3130 | Organism | Lepidium sativum | Lepidium sativum | GI | = | 100 | % | 10.1016/S0953-7562(09)80766-1 |
NPT1234 | Organism | Chlorella fusca | Chlorella fusca | IZ | = | 14 | mm | 10.1016/S0953-7562(09)80766-1 |
NPT1232 | Organism | Eurotium repens | Eurotium repens | IZ | = | 6 | mm | 10.1016/S0953-7562(09)80766-1 |
NPT1233 | Organism | Mycotypha microspora | Mycotypha microspora | IZ | = | 0 | mm | 10.1016/S0953-7562(09)80766-1 |
NPT1230 | Organism | Bacillus megaterium | Bacillus megaterium | IZ | = | 2 | mm | 10.1016/S0953-7562(09)80766-1 |
NPT19 | Organism | Escherichia coli | Escherichia coli | IZ | = | 2 | mm | 10.1016/S0953-7562(09)80766-1 |
NPT1231 | Organism | Microbotryum violaceum | Microbotryum violaceum | IZ | = | 8 | mm | 10.1016/S0953-7562(09)80766-1 |
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 NPC214702 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 | NPC470831 |
0.9688 | High Similarity | NPC27407 |
0.9688 | High Similarity | NPC142027 |
0.9612 | High Similarity | NPC291454 |
0.9466 | High Similarity | NPC126739 |
0.9466 | High Similarity | NPC197666 |
0.9462 | High Similarity | NPC235115 |
0.9389 | High Similarity | NPC301915 |
0.9389 | High Similarity | NPC261292 |
0.9318 | High Similarity | NPC221104 |
0.9297 | High Similarity | NPC473271 |
0.9254 | High Similarity | NPC470842 |
0.9231 | High Similarity | NPC153783 |
0.9179 | High Similarity | NPC155205 |
0.9173 | High Similarity | NPC472602 |
0.9173 | High Similarity | NPC478200 |
0.9173 | High Similarity | NPC33144 |
0.9127 | High Similarity | NPC265910 |
0.9127 | High Similarity | NPC91475 |
0.9111 | High Similarity | NPC53649 |
0.9111 | High Similarity | NPC158634 |
0.9104 | High Similarity | NPC32360 |
0.9104 | High Similarity | NPC88269 |
0.9104 | High Similarity | NPC268052 |
0.9098 | High Similarity | NPC70380 |
0.9084 | High Similarity | NPC43627 |
0.9077 | High Similarity | NPC189823 |
0.9077 | High Similarity | NPC219892 |
0.9051 | High Similarity | NPC151607 |
0.9051 | High Similarity | NPC42540 |
0.9037 | High Similarity | NPC158472 |
0.9037 | High Similarity | NPC472601 |
0.9037 | High Similarity | NPC472600 |
0.903 | High Similarity | NPC191835 |
0.903 | High Similarity | NPC212693 |
0.903 | High Similarity | NPC94248 |
0.9015 | High Similarity | NPC175943 |
0.9015 | High Similarity | NPC474097 |
0.8978 | High Similarity | NPC478202 |
0.8978 | High Similarity | NPC159721 |
0.8978 | High Similarity | NPC469542 |
0.8971 | High Similarity | NPC478217 |
0.8971 | High Similarity | NPC472605 |
0.8971 | High Similarity | NPC472035 |
0.8971 | High Similarity | NPC313123 |
0.8971 | High Similarity | NPC478201 |
0.8971 | High Similarity | NPC472604 |
0.8971 | High Similarity | NPC149533 |
0.8971 | High Similarity | NPC472603 |
0.8963 | High Similarity | NPC139634 |
0.8963 | High Similarity | NPC105456 |
0.8963 | High Similarity | NPC52358 |
0.8955 | High Similarity | NPC71256 |
0.8955 | High Similarity | NPC135837 |
0.8947 | High Similarity | NPC470844 |
0.8931 | High Similarity | NPC7012 |
0.8915 | High Similarity | NPC181715 |
0.8905 | High Similarity | NPC474385 |
0.8841 | High Similarity | NPC472610 |
0.8841 | High Similarity | NPC471731 |
0.8832 | High Similarity | NPC475730 |
0.8832 | High Similarity | NPC67650 |
0.8832 | High Similarity | NPC1704 |
0.8832 | High Similarity | NPC130485 |
0.8832 | High Similarity | NPC244923 |
0.8824 | High Similarity | NPC92655 |
0.8824 | High Similarity | NPC247409 |
0.8806 | High Similarity | NPC180905 |
0.8806 | High Similarity | NPC182496 |
0.879 | High Similarity | NPC125252 |
0.8786 | High Similarity | NPC473023 |
0.8777 | High Similarity | NPC210425 |
0.8777 | High Similarity | NPC210966 |
0.8777 | High Similarity | NPC126882 |
0.8777 | High Similarity | NPC478203 |
0.8777 | High Similarity | NPC277426 |
0.8777 | High Similarity | NPC280404 |
0.8777 | High Similarity | NPC86373 |
0.8768 | High Similarity | NPC469579 |
0.8768 | High Similarity | NPC471733 |
0.875 | High Similarity | NPC177307 |
0.875 | High Similarity | NPC61590 |
0.875 | High Similarity | NPC9121 |
0.8741 | High Similarity | NPC50455 |
0.8741 | High Similarity | NPC158481 |
0.8723 | High Similarity | NPC476463 |
0.8722 | High Similarity | NPC476389 |
0.872 | High Similarity | NPC94637 |
0.8714 | High Similarity | NPC257558 |
0.8714 | High Similarity | NPC472034 |
0.8714 | High Similarity | NPC83272 |
0.8705 | High Similarity | NPC51106 |
0.8705 | High Similarity | NPC472006 |
0.8696 | High Similarity | NPC37530 |
0.8696 | High Similarity | NPC90411 |
0.8686 | High Similarity | NPC295339 |
0.8686 | High Similarity | NPC275356 |
0.8676 | High Similarity | NPC474771 |
0.8676 | High Similarity | NPC178467 |
0.8676 | High Similarity | NPC149372 |
0.8676 | High Similarity | NPC194579 |
0.8676 | High Similarity | NPC474849 |
0.8676 | High Similarity | NPC65837 |
0.8672 | High Similarity | NPC217756 |
0.8652 | High Similarity | NPC472033 |
0.8651 | High Similarity | NPC328459 |
0.8651 | High Similarity | NPC90522 |
0.8633 | High Similarity | NPC82913 |
0.8633 | High Similarity | NPC250755 |
0.8623 | High Similarity | NPC99441 |
0.8623 | High Similarity | NPC168471 |
0.8615 | High Similarity | NPC240744 |
0.8615 | High Similarity | NPC167055 |
0.8615 | High Similarity | NPC262671 |
0.8615 | High Similarity | NPC201728 |
0.8613 | High Similarity | NPC475974 |
0.8613 | High Similarity | NPC472403 |
0.8611 | High Similarity | NPC70016 |
0.8611 | High Similarity | NPC215921 |
0.8601 | High Similarity | NPC77325 |
0.8601 | High Similarity | NPC237440 |
0.8601 | High Similarity | NPC476684 |
0.8601 | High Similarity | NPC270160 |
0.8601 | High Similarity | NPC4423 |
0.8592 | High Similarity | NPC471734 |
0.8592 | High Similarity | NPC210320 |
0.8592 | High Similarity | NPC472036 |
0.8583 | High Similarity | NPC72977 |
0.8583 | High Similarity | NPC233282 |
0.8582 | High Similarity | NPC473692 |
0.8582 | High Similarity | NPC477406 |
0.8582 | High Similarity | NPC470160 |
0.8561 | High Similarity | NPC220106 |
0.8561 | High Similarity | NPC257003 |
0.856 | High Similarity | NPC128825 |
0.8552 | High Similarity | NPC295646 |
0.8551 | High Similarity | NPC256463 |
0.8551 | High Similarity | NPC29771 |
0.8551 | High Similarity | NPC471819 |
0.8551 | High Similarity | NPC216312 |
0.8551 | High Similarity | NPC474655 |
0.8551 | High Similarity | NPC299405 |
0.8551 | High Similarity | NPC111422 |
0.8551 | High Similarity | NPC471602 |
0.8551 | High Similarity | NPC306835 |
0.8551 | High Similarity | NPC476477 |
0.855 | High Similarity | NPC95309 |
0.8542 | High Similarity | NPC472891 |
0.854 | High Similarity | NPC245058 |
0.8531 | High Similarity | NPC471641 |
0.8531 | High Similarity | NPC240253 |
0.8531 | High Similarity | NPC471642 |
0.8531 | High Similarity | NPC221352 |
0.8531 | High Similarity | NPC73411 |
0.8531 | High Similarity | NPC240622 |
0.8531 | High Similarity | NPC215711 |
0.8527 | High Similarity | NPC46634 |
0.8521 | High Similarity | NPC107625 |
0.8521 | High Similarity | NPC471735 |
0.8521 | High Similarity | NPC267509 |
0.8516 | High Similarity | NPC272454 |
0.8516 | High Similarity | NPC35856 |
0.8516 | High Similarity | NPC179092 |
0.8516 | High Similarity | NPC26433 |
0.8516 | High Similarity | NPC292665 |
0.8516 | High Similarity | NPC159760 |
0.8516 | High Similarity | NPC222876 |
0.8516 | High Similarity | NPC301987 |
0.8516 | High Similarity | NPC115188 |
0.8516 | High Similarity | NPC244994 |
0.8516 | High Similarity | NPC178395 |
0.8511 | High Similarity | NPC66404 |
0.8511 | High Similarity | NPC95123 |
0.8504 | High Similarity | NPC233165 |
0.8504 | High Similarity | NPC184579 |
0.85 | High Similarity | NPC105648 |
0.85 | High Similarity | NPC322112 |
0.8489 | Intermediate Similarity | NPC327916 |
0.8489 | Intermediate Similarity | NPC165172 |
0.8489 | Intermediate Similarity | NPC241349 |
0.8489 | Intermediate Similarity | NPC42262 |
0.8489 | Intermediate Similarity | NPC220496 |
0.8489 | Intermediate Similarity | NPC32749 |
0.8489 | Intermediate Similarity | NPC147542 |
0.8489 | Intermediate Similarity | NPC37992 |
0.8472 | Intermediate Similarity | NPC84142 |
0.8467 | Intermediate Similarity | NPC472599 |
0.8467 | Intermediate Similarity | NPC156967 |
0.8467 | Intermediate Similarity | NPC242712 |
0.8462 | Intermediate Similarity | NPC166583 |
0.8462 | Intermediate Similarity | NPC53362 |
0.8451 | Intermediate Similarity | NPC32470 |
0.8451 | Intermediate Similarity | NPC312789 |
0.8451 | Intermediate Similarity | NPC134621 |
0.845 | Intermediate Similarity | NPC198336 |
0.844 | Intermediate Similarity | NPC21873 |
0.844 | Intermediate Similarity | NPC476473 |
0.8433 | Intermediate Similarity | NPC17840 |
0.8433 | Intermediate Similarity | NPC247477 |
0.8433 | Intermediate Similarity | NPC12694 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC214702 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 |
---|---|---|---|
0.8824 | High Similarity | NPD970 | Clinical (unspecified phase) |
0.856 | High Similarity | NPD9493 | Approved |
0.8425 | Intermediate Similarity | NPD9545 | Approved |
0.8121 | Intermediate Similarity | NPD7819 | Suspended |
0.8085 | Intermediate Similarity | NPD1552 | Clinical (unspecified phase) |
0.8085 | Intermediate Similarity | NPD1550 | Clinical (unspecified phase) |
0.8069 | Intermediate Similarity | NPD2532 | Approved |
0.8069 | Intermediate Similarity | NPD2534 | Approved |
0.8069 | Intermediate Similarity | NPD2533 | Approved |
0.8043 | Intermediate Similarity | NPD1240 | Approved |
0.803 | Intermediate Similarity | NPD1201 | Approved |
0.8028 | Intermediate Similarity | NPD1549 | Phase 2 |
0.8014 | Intermediate Similarity | NPD1551 | Phase 2 |
0.7986 | Intermediate Similarity | NPD230 | Phase 1 |
0.7984 | Intermediate Similarity | NPD405 | Clinical (unspecified phase) |
0.797 | Intermediate Similarity | NPD9717 | Approved |
0.7943 | Intermediate Similarity | NPD1510 | Phase 2 |
0.7929 | Intermediate Similarity | NPD1607 | Approved |
0.7926 | Intermediate Similarity | NPD1203 | Approved |
0.792 | Intermediate Similarity | NPD9266 | Approved |
0.792 | Intermediate Similarity | NPD74 | Approved |
0.7917 | Intermediate Similarity | NPD1878 | Clinical (unspecified phase) |
0.7887 | Intermediate Similarity | NPD2935 | Discontinued |
0.784 | Intermediate Similarity | NPD9263 | Approved |
0.784 | Intermediate Similarity | NPD9264 | Approved |
0.784 | Intermediate Similarity | NPD9267 | Approved |
0.7836 | Intermediate Similarity | NPD1608 | Approved |
0.7815 | Intermediate Similarity | NPD1934 | Approved |
0.7794 | Intermediate Similarity | NPD1470 | Approved |
0.777 | Intermediate Similarity | NPD3764 | Approved |
0.777 | Intermediate Similarity | NPD411 | Approved |
0.7763 | Intermediate Similarity | NPD2393 | Clinical (unspecified phase) |
0.7733 | Intermediate Similarity | NPD3226 | Approved |
0.773 | Intermediate Similarity | NPD447 | Suspended |
0.7727 | Intermediate Similarity | NPD7075 | Discontinued |
0.7708 | Intermediate Similarity | NPD2346 | Discontinued |
0.7692 | Intermediate Similarity | NPD1509 | Clinical (unspecified phase) |
0.7671 | Intermediate Similarity | NPD3750 | Approved |
0.7664 | Intermediate Similarity | NPD1164 | Approved |
0.7647 | Intermediate Similarity | NPD7096 | Clinical (unspecified phase) |
0.7643 | Intermediate Similarity | NPD6232 | Discontinued |
0.7639 | Intermediate Similarity | NPD2796 | Approved |
0.7639 | Intermediate Similarity | NPD5406 | Approved |
0.7639 | Intermediate Similarity | NPD5405 | Approved |
0.7639 | Intermediate Similarity | NPD5404 | Approved |
0.7639 | Intermediate Similarity | NPD5408 | Approved |
0.7635 | Intermediate Similarity | NPD6799 | Approved |
0.7635 | Intermediate Similarity | NPD1511 | Approved |
0.7632 | Intermediate Similarity | NPD7411 | Suspended |
0.7626 | Intermediate Similarity | NPD6832 | Phase 2 |
0.7613 | Intermediate Similarity | NPD3749 | Approved |
0.7612 | Intermediate Similarity | NPD17 | Approved |
0.7606 | Intermediate Similarity | NPD1899 | Clinical (unspecified phase) |
0.7597 | Intermediate Similarity | NPD8443 | Clinical (unspecified phase) |
0.7589 | Intermediate Similarity | NPD520 | Approved |
0.7584 | Intermediate Similarity | NPD4378 | Clinical (unspecified phase) |
0.7584 | Intermediate Similarity | NPD7004 | Clinical (unspecified phase) |
0.758 | Intermediate Similarity | NPD6959 | Discontinued |
0.7569 | Intermediate Similarity | NPD651 | Clinical (unspecified phase) |
0.7566 | Intermediate Similarity | NPD4380 | Phase 2 |
0.7559 | Intermediate Similarity | NPD9265 | Clinical (unspecified phase) |
0.7551 | Intermediate Similarity | NPD4628 | Phase 3 |
0.7535 | Intermediate Similarity | NPD943 | Approved |
0.7533 | Intermediate Similarity | NPD1512 | Approved |
0.7532 | Intermediate Similarity | NPD5710 | Approved |
0.7532 | Intermediate Similarity | NPD5711 | Approved |
0.752 | Intermediate Similarity | NPD9261 | Approved |
0.7518 | Intermediate Similarity | NPD6859 | Clinical (unspecified phase) |
0.75 | Intermediate Similarity | NPD5808 | Clinical (unspecified phase) |
0.75 | Intermediate Similarity | NPD7473 | Discontinued |
0.75 | Intermediate Similarity | NPD1547 | Clinical (unspecified phase) |
0.7484 | Intermediate Similarity | NPD3817 | Phase 2 |
0.7483 | Intermediate Similarity | NPD7421 | Clinical (unspecified phase) |
0.7482 | Intermediate Similarity | NPD1019 | Discontinued |
0.7481 | Intermediate Similarity | NPD1778 | Approved |
0.747 | Intermediate Similarity | NPD8150 | Discontinued |
0.7451 | Intermediate Similarity | NPD6599 | Discontinued |
0.7448 | Intermediate Similarity | NPD7033 | Discontinued |
0.7438 | Intermediate Similarity | NPD7852 | Clinical (unspecified phase) |
0.7436 | Intermediate Similarity | NPD4868 | Clinical (unspecified phase) |
0.7436 | Intermediate Similarity | NPD7768 | Phase 2 |
0.7436 | Intermediate Similarity | NPD3882 | Suspended |
0.7432 | Intermediate Similarity | NPD6398 | Clinical (unspecified phase) |
0.7424 | Intermediate Similarity | NPD9281 | Approved |
0.7419 | Intermediate Similarity | NPD2801 | Approved |
0.741 | Intermediate Similarity | NPD2797 | Approved |
0.7407 | Intermediate Similarity | NPD5844 | Phase 1 |
0.7397 | Intermediate Similarity | NPD6100 | Approved |
0.7397 | Intermediate Similarity | NPD6099 | Approved |
0.7389 | Intermediate Similarity | NPD4381 | Clinical (unspecified phase) |
0.7372 | Intermediate Similarity | NPD5402 | Approved |
0.7372 | Intermediate Similarity | NPD422 | Phase 1 |
0.7368 | Intermediate Similarity | NPD5403 | Approved |
0.7365 | Intermediate Similarity | NPD1243 | Approved |
0.7357 | Intermediate Similarity | NPD2798 | Approved |
0.7355 | Intermediate Similarity | NPD6801 | Discontinued |
0.7351 | Intermediate Similarity | NPD5401 | Approved |
0.7347 | Intermediate Similarity | NPD2344 | Approved |
0.7338 | Intermediate Similarity | NPD1283 | Approved |
0.7333 | Intermediate Similarity | NPD643 | Clinical (unspecified phase) |
0.7329 | Intermediate Similarity | NPD6166 | Phase 2 |
0.7329 | Intermediate Similarity | NPD6167 | Clinical (unspecified phase) |
0.7329 | Intermediate Similarity | NPD2799 | Discontinued |
0.7329 | Intermediate Similarity | NPD3748 | Approved |
0.7329 | Intermediate Similarity | NPD6168 | Clinical (unspecified phase) |
0.7308 | Intermediate Similarity | NPD1465 | Phase 2 |
0.7301 | Intermediate Similarity | NPD7054 | Approved |
0.7294 | Intermediate Similarity | NPD7879 | Clinical (unspecified phase) |
0.7285 | Intermediate Similarity | NPD7390 | Discontinued |
0.7273 | Intermediate Similarity | NPD3268 | Approved |
0.7273 | Intermediate Similarity | NPD1699 | Clinical (unspecified phase) |
0.7273 | Intermediate Similarity | NPD2313 | Discontinued |
0.7256 | Intermediate Similarity | NPD7074 | Phase 3 |
0.7256 | Intermediate Similarity | NPD7472 | Approved |
0.7255 | Intermediate Similarity | NPD920 | Approved |
0.7252 | Intermediate Similarity | NPD2181 | Clinical (unspecified phase) |
0.7248 | Intermediate Similarity | NPD2800 | Approved |
0.7241 | Intermediate Similarity | NPD1933 | Approved |
0.7237 | Intermediate Similarity | NPD7410 | Clinical (unspecified phase) |
0.7237 | Intermediate Similarity | NPD642 | Clinical (unspecified phase) |
0.7229 | Intermediate Similarity | NPD4338 | Clinical (unspecified phase) |
0.7226 | Intermediate Similarity | NPD4626 | Approved |
0.7214 | Intermediate Similarity | NPD3225 | Approved |
0.7212 | Intermediate Similarity | NPD6797 | Phase 2 |
0.7211 | Intermediate Similarity | NPD4308 | Phase 3 |
0.7194 | Intermediate Similarity | NPD9269 | Phase 2 |
0.7186 | Intermediate Similarity | NPD8313 | Approved |
0.7186 | Intermediate Similarity | NPD8312 | Approved |
0.7183 | Intermediate Similarity | NPD9494 | Approved |
0.7169 | Intermediate Similarity | NPD7251 | Discontinued |
0.7153 | Intermediate Similarity | NPD5691 | Approved |
0.7153 | Intermediate Similarity | NPD9268 | Approved |
0.7152 | Intermediate Similarity | NPD2309 | Approved |
0.7152 | Intermediate Similarity | NPD6190 | Approved |
0.7134 | Intermediate Similarity | NPD3818 | Discontinued |
0.7126 | Intermediate Similarity | NPD7808 | Phase 3 |
0.7125 | Intermediate Similarity | NPD919 | Approved |
0.7122 | Intermediate Similarity | NPD1281 | Approved |
0.7103 | Intermediate Similarity | NPD6663 | Approved |
0.7099 | Intermediate Similarity | NPD2182 | Approved |
0.7091 | Intermediate Similarity | NPD7804 | Clinical (unspecified phase) |
0.7086 | Intermediate Similarity | NPD7003 | Approved |
0.7081 | Intermediate Similarity | NPD5494 | Approved |
0.7078 | Intermediate Similarity | NPD6273 | Approved |
0.7075 | Intermediate Similarity | NPD6651 | Approved |
0.7066 | Intermediate Similarity | NPD6559 | Discontinued |
0.7063 | Intermediate Similarity | NPD5736 | Approved |
0.7059 | Intermediate Similarity | NPD6143 | Clinical (unspecified phase) |
0.7054 | Intermediate Similarity | NPD164 | Approved |
0.705 | Intermediate Similarity | NPD3496 | Discontinued |
0.7042 | Intermediate Similarity | NPD3266 | Approved |
0.7042 | Intermediate Similarity | NPD3267 | Approved |
0.703 | Intermediate Similarity | NPD3751 | Discontinued |
0.703 | Intermediate Similarity | NPD7177 | Discontinued |
0.7027 | Intermediate Similarity | NPD4978 | Clinical (unspecified phase) |
0.7008 | Intermediate Similarity | NPD1238 | Approved |
0.7006 | Intermediate Similarity | NPD5953 | Discontinued |
0.7 | Intermediate Similarity | NPD6002 | Phase 3 |
0.7 | Intermediate Similarity | NPD6006 | Clinical (unspecified phase) |
0.7 | Intermediate Similarity | NPD6003 | Clinical (unspecified phase) |
0.7 | Intermediate Similarity | NPD6004 | Phase 3 |
0.7 | Intermediate Similarity | NPD1610 | Phase 2 |
0.7 | Intermediate Similarity | NPD2343 | Clinical (unspecified phase) |
0.7 | Intermediate Similarity | NPD6005 | Phase 3 |
0.6977 | Remote Similarity | NPD8397 | Clinical (unspecified phase) |
0.6966 | Remote Similarity | NPD4625 | Phase 3 |
0.6963 | Remote Similarity | NPD1241 | Discontinued |
0.694 | Remote Similarity | NPD1609 | Clinical (unspecified phase) |
0.6939 | Remote Similarity | NPD4060 | Phase 1 |
0.6939 | Remote Similarity | NPD4307 | Phase 2 |
0.6933 | Remote Similarity | NPD4477 | Approved |
0.6933 | Remote Similarity | NPD4476 | Approved |
0.6914 | Remote Similarity | NPD6534 | Approved |
0.6914 | Remote Similarity | NPD6535 | Approved |
0.6906 | Remote Similarity | NPD4196 | Clinical (unspecified phase) |
0.6905 | Remote Similarity | NPD7993 | Clinical (unspecified phase) |
0.6903 | Remote Similarity | NPD7422 | Clinical (unspecified phase) |
0.6901 | Remote Similarity | NPD4749 | Approved |
0.6892 | Remote Similarity | NPD6355 | Discontinued |
0.689 | Remote Similarity | NPD3787 | Discontinued |
0.6889 | Remote Similarity | NPD7435 | Discontinued |
0.6887 | Remote Similarity | NPD1471 | Phase 3 |
0.6887 | Remote Similarity | NPD7266 | Discontinued |
0.6886 | Remote Similarity | NPD7286 | Phase 2 |
0.6883 | Remote Similarity | NPD3300 | Phase 2 |
0.6875 | Remote Similarity | NPD6007 | Clinical (unspecified phase) |
0.687 | Remote Similarity | NPD5048 | Discontinued |
0.6863 | Remote Similarity | NPD8166 | Discontinued |
0.6857 | Remote Similarity | NPD6214 | Clinical (unspecified phase) |
0.6857 | Remote Similarity | NPD6212 | Phase 3 |
0.6857 | Remote Similarity | NPD6213 | Phase 3 |
0.6853 | Remote Similarity | NPD1876 | Approved |
0.6851 | Remote Similarity | NPD8320 | Phase 1 |
0.6851 | Remote Similarity | NPD8319 | Approved |
0.6849 | Remote Similarity | NPD5952 | Clinical (unspecified phase) |
0.6849 | Remote Similarity | NPD7008 | Discontinued |
0.6835 | Remote Similarity | NPD3455 | Phase 2 |
0.6835 | Remote Similarity | NPD1548 | Phase 1 |
0.6835 | Remote Similarity | NPD7458 | Discontinued |
0.6835 | Remote Similarity | NPD1894 | Discontinued |
PubChem CID   | 114679 |
ChEMBL   | CHEMBL499303 |
ZINC   |
Molecular Weight:   | 178.06 |
ALogP:   | -0.4881 |
MLogP:   | 2.23 |
XLogP:   | 2.453 |
# Rotatable Bonds:   | 2 |
Polar Surface Area:   | 46.53 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 2 |
# Heavy Atoms:   | 13 |