Natural Product: NPC161035

Natural Product ID:  NPC161035
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C27H42O4
Standard InCHIKey:  QOLRLLFJMZLYQJ-LOBDNJQFSA-N
Standard InCHI:  InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1
Canonical SMILES:  C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@@H]3[C@]([C@H]1CC2=O)(C)CC[C@@H](C3)O)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO22246 Aplidium longithorax Species Polyclinidae Eukaryota UNPD*
NPO25433 Rhizoma fagopyri cymosi NA NA NA TCMSP*
NPO22578 Speranskia tuberculata Species Euphorbiaceae Eukaryota UNPD*
NPO7395 Tribulus terrestris Species Zygophyllaceae Eukaryota TM-MC*
NPO15934 Rhododendron ponticum Species Ericaceae Eukaryota UNPD*
NPO14211 Acinetobacter junii Species Moraxellaceae Bacteria UNPD*
NPO23056 Isaria japonica Species Cordycipitaceae Eukaryota UNPD*
NPO22321 Euphorbia lamprocarpa Species Euphorbiaceae Eukaryota UNPD*
NPO22453 Befaria racemosa NA NA NA UNPD*
NPO12005 Amomum zambesiacum Species Zingiberaceae Eukaryota UNPD*
NPO19380 Styela plicata Species Styelidae Eukaryota UNPD*
NPO21635 Pandalus borealis Species Pandalidae Eukaryota UNPD*
NPO17092 Viguiera dentata Species Asteraceae Eukaryota UNPD*
NPO21106 Isatis costata Species Brassicaceae Eukaryota UNPD*
NPO7564 Manfreda maculosa Species Asparagaceae Eukaryota UNPD*
NPO18197 Cadlina luteomarginata Species Chromodorididae Eukaryota UNPD*
NPO27833 Xerotus discolor Species Tricholomataceae Eukaryota UNPD*
NPO20677 Fraxinus angustifolia Species Oleaceae Eukaryota UNPD*
NPO22938 Genista hystrix Species Fabaceae Eukaryota UNPD*
NPO23133 Gypsophila patrini Species Caryophyllaceae Eukaryota UNPD*
NPO23475 Psoralea acaulis Species Fabaceae Eukaryota UNPD*
NPO20182 Euonymus pendulus Species Celastraceae Eukaryota UNPD*
NPO17898 Buckiella undulata Species Hypnaceae Eukaryota UNPD*
NPO21874 Cercospora melonis Species Mycosphaerellaceae Eukaryota UNPD*
NPO22631 Actinopolyspora erythraea Species Actinopolysporaceae Bacteria UNPD*
NPO20032 Prunus sibirica Species Rosaceae Eukaryota UNPD*
NPO22187 Ostrea virginica Species Ostreidae Eukaryota UNPD*
NPO17819 Ferula transiliensis Species Apiaceae Eukaryota UNPD*
NPO22697 Licaria mahuba Species Lauraceae Eukaryota UNPD*
NPO21246 Helichrysum anomalum Species Asteraceae Eukaryota UNPD*
NPO20506 Batatas edulis NA NA NA UNPD*
NPO7217 Plakobranchus ocellatus Species Placobranchidae Eukaryota UNPD*
NPO22119 Echinops bannaticus Species Asteraceae Eukaryota UNPD*
NPO10574 Machilus thunbergii Species Lauraceae Eukaryota UNPD*
NPO22060 Hippomane mancinella Species Euphorbiaceae Eukaryota UNPD*
NPO20952 Dioscorea cirrhosa Species Dioscoreaceae Eukaryota UNPD*
NPO21997 Benzoin trilobum NA NA NA UNPD*
NPO9972 Angostura granulosa Species Rutaceae Eukaryota UNPD*
NPO22881 Cryptotermes brevis Species Termitoidae Eukaryota UNPD*
NPO5927 Cortinarius venetus Species Cortinariaceae Eukaryota UNPD*
NPO23176 Schefflera bodinieri Species Araliaceae Eukaryota UNPD*
NPO19693 Lobaria oregana Species Lobariaceae Eukaryota UNPD*
NPO21735 Clausena anisum-olens Species Rutaceae Eukaryota UNPD*
NPO14364 Alisma plantago-aquatica Species Alismataceae Eukaryota UNPD*
NPO22993 Veronica hederifolia Species Plantaginaceae Eukaryota UNPD*
NPO20358 Streptomyces maritimus Species Streptomycetaceae Bacteria UNPD*
NPO19920 Yucca gloriosa Species Asparagaceae Eukaryota UNPD*
NPO16106 Tribulifructus NA NA NA TCMSP*
NPO18568 Artemisia aucheri Species Asteraceae Eukaryota UNPD*
NPO25227 Senecio roseus Species Asteraceae Eukaryota UNPD*
NPO23094 Pectinophora gossypiella Species Gelechiidae Eukaryota UNPD*
NPO20042 Ambrosia cumanensis Species Asteraceae Eukaryota UNPD*
NPO19070 Cassia dentata Species Fabaceae Eukaryota UNPD*
NPO19108 Arthrinium sacchari Species Apiosporaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 1815.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1333.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3592 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 1778.3 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 1584.9 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 56.2 nM PubChem BioAssay data set

  Similar Natural Products in NPASS

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 NPC161035 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
0.9551 High Similarity NPC305808
0.9043 High Similarity NPC178853
0.9022 High Similarity NPC476728
0.8866 High Similarity NPC215408
0.8837 High Similarity NPC24556
0.8687 High Similarity NPC92890
0.8687 High Similarity NPC475319
0.8687 High Similarity NPC202898
0.8681 High Similarity NPC77756
0.8621 High Similarity NPC296734
0.8605 High Similarity NPC248944
0.8605 High Similarity NPC7479
0.8605 High Similarity NPC257296
0.86 High Similarity NPC220836
0.86 High Similarity NPC233433
0.86 High Similarity NPC92297
0.86 High Similarity NPC473817
0.86 High Similarity NPC273002
0.86 High Similarity NPC94086
0.8557 High Similarity NPC244969
0.8557 High Similarity NPC213528
0.8542 High Similarity NPC20028
0.8526 High Similarity NPC471241
0.8495 Intermediate Similarity NPC476189
0.8469 Intermediate Similarity NPC107385
0.8431 Intermediate Similarity NPC473062
0.8427 Intermediate Similarity NPC227260
0.8421 Intermediate Similarity NPC193785
0.8404 Intermediate Similarity NPC470424
0.8387 Intermediate Similarity NPC475878
0.8387 Intermediate Similarity NPC52756
0.8384 Intermediate Similarity NPC470167
0.8384 Intermediate Similarity NPC100078
0.837 Intermediate Similarity NPC61688
0.837 Intermediate Similarity NPC200580
0.8367 Intermediate Similarity NPC470172
0.8367 Intermediate Similarity NPC310031
0.8367 Intermediate Similarity NPC80191
0.8351 Intermediate Similarity NPC41843
0.8333 Intermediate Similarity NPC273290
0.8333 Intermediate Similarity NPC232044
0.8333 Intermediate Similarity NPC472273
0.83 Intermediate Similarity NPC306776
0.83 Intermediate Similarity NPC166079
0.8298 Intermediate Similarity NPC472232
0.8298 Intermediate Similarity NPC472231
0.8283 Intermediate Similarity NPC34562
0.8283 Intermediate Similarity NPC473406
0.8265 Intermediate Similarity NPC477172
0.8242 Intermediate Similarity NPC80700
0.8202 Intermediate Similarity NPC470611
0.82 Intermediate Similarity NPC88469
0.8182 Intermediate Similarity NPC470609
0.8172 Intermediate Similarity NPC67653
0.8172 Intermediate Similarity NPC471459
0.8125 Intermediate Similarity NPC215570
0.8105 Intermediate Similarity NPC472237
0.8105 Intermediate Similarity NPC472238
0.81 Intermediate Similarity NPC471253
0.8095 Intermediate Similarity NPC97002
0.809 Intermediate Similarity NPC469745
0.8043 Intermediate Similarity NPC472272
0.8043 Intermediate Similarity NPC476727
0.8043 Intermediate Similarity NPC476726
0.8041 Intermediate Similarity NPC475785
0.8041 Intermediate Similarity NPC116683
0.8041 Intermediate Similarity NPC475765
0.8022 Intermediate Similarity NPC473336
0.8022 Intermediate Similarity NPC473299
0.8022 Intermediate Similarity NPC471044
0.8021 Intermediate Similarity NPC470423
0.802 Intermediate Similarity NPC327093
0.8019 Intermediate Similarity NPC79193
0.8 Intermediate Similarity NPC289486
0.8 Intermediate Similarity NPC477489
0.8 Intermediate Similarity NPC61107
0.8 Intermediate Similarity NPC317066
0.8 Intermediate Similarity NPC474065
0.8 Intermediate Similarity NPC477492
0.7959 Intermediate Similarity NPC472145
0.7957 Intermediate Similarity NPC239938
0.7955 Intermediate Similarity NPC185465
0.7944 Intermediate Similarity NPC475490
0.7941 Intermediate Similarity NPC4115
0.7938 Intermediate Similarity NPC287354
0.7938 Intermediate Similarity NPC62407
0.7931 Intermediate Similarity NPC472487
0.7931 Intermediate Similarity NPC472486
0.7912 Intermediate Similarity NPC327451
0.7905 Intermediate Similarity NPC469824
0.7895 Intermediate Similarity NPC473542
0.7889 Intermediate Similarity NPC58631
0.7885 Intermediate Similarity NPC227879
0.7885 Intermediate Similarity NPC208333
0.7879 Intermediate Similarity NPC472144
0.7872 Intermediate Similarity NPC477614
0.7872 Intermediate Similarity NPC226491
0.7872 Intermediate Similarity NPC236459
0.787 Intermediate Similarity NPC179429
0.7865 Intermediate Similarity NPC320144
0.7865 Intermediate Similarity NPC80891
0.7865 Intermediate Similarity NPC201276
0.7864 Intermediate Similarity NPC203974
0.7857 Intermediate Similarity NPC156377
0.7849 Intermediate Similarity NPC474448
0.7849 Intermediate Similarity NPC248216
0.7843 Intermediate Similarity NPC13149
0.7841 Intermediate Similarity NPC221420
0.7826 Intermediate Similarity NPC237938
0.7826 Intermediate Similarity NPC50438
0.7826 Intermediate Similarity NPC219535
0.7822 Intermediate Similarity NPC475803
0.7822 Intermediate Similarity NPC309388
0.7822 Intermediate Similarity NPC471254
0.7818 Intermediate Similarity NPC108072
0.7816 Intermediate Similarity NPC125767
0.7816 Intermediate Similarity NPC21220
0.7816 Intermediate Similarity NPC159789
0.7812 Intermediate Similarity NPC149966
0.7812 Intermediate Similarity NPC5632
0.7812 Intermediate Similarity NPC59006
0.7802 Intermediate Similarity NPC268040
0.7789 Intermediate Similarity NPC472234
0.7789 Intermediate Similarity NPC472233
0.7789 Intermediate Similarity NPC228059
0.7788 Intermediate Similarity NPC469733
0.7788 Intermediate Similarity NPC469729
0.7788 Intermediate Similarity NPC472079
0.7767 Intermediate Similarity NPC12823
0.7766 Intermediate Similarity NPC210658
0.7766 Intermediate Similarity NPC470920
0.7766 Intermediate Similarity NPC161928
0.7753 Intermediate Similarity NPC80089
0.7753 Intermediate Similarity NPC224802
0.7753 Intermediate Similarity NPC34046
0.7753 Intermediate Similarity NPC171426
0.7753 Intermediate Similarity NPC324700
0.7745 Intermediate Similarity NPC140723
0.7745 Intermediate Similarity NPC139347
0.7742 Intermediate Similarity NPC473350
0.7736 Intermediate Similarity NPC246399
0.7736 Intermediate Similarity NPC34977
0.7736 Intermediate Similarity NPC471251
0.7736 Intermediate Similarity NPC329953
0.7736 Intermediate Similarity NPC470311
0.7732 Intermediate Similarity NPC311246
0.7732 Intermediate Similarity NPC48339
0.7732 Intermediate Similarity NPC88962
0.7732 Intermediate Similarity NPC149400
0.7732 Intermediate Similarity NPC177834
0.7732 Intermediate Similarity NPC250393
0.7732 Intermediate Similarity NPC256104
0.7732 Intermediate Similarity NPC477547
0.7732 Intermediate Similarity NPC234352
0.7732 Intermediate Similarity NPC182740
0.7732 Intermediate Similarity NPC122083
0.7732 Intermediate Similarity NPC144790
0.7732 Intermediate Similarity NPC249204
0.7732 Intermediate Similarity NPC167644
0.7732 Intermediate Similarity NPC211845
0.7732 Intermediate Similarity NPC141769
0.7732 Intermediate Similarity NPC477451
0.7732 Intermediate Similarity NPC325828
0.7732 Intermediate Similarity NPC297348
0.7727 Intermediate Similarity NPC5767
0.7727 Intermediate Similarity NPC475742
0.7723 Intermediate Similarity NPC14634
0.7723 Intermediate Similarity NPC121218
0.7723 Intermediate Similarity NPC253886
0.7717 Intermediate Similarity NPC292458
0.7717 Intermediate Similarity NPC268578
0.7717 Intermediate Similarity NPC217559
0.7714 Intermediate Similarity NPC471250
0.7714 Intermediate Similarity NPC228190
0.7714 Intermediate Similarity NPC236753
0.7714 Intermediate Similarity NPC469744
0.7708 Intermediate Similarity NPC476296
0.7708 Intermediate Similarity NPC18536
0.7708 Intermediate Similarity NPC50443
0.7692 Intermediate Similarity NPC472229
0.7692 Intermediate Similarity NPC472230
0.7685 Intermediate Similarity NPC471398
0.7684 Intermediate Similarity NPC131104
0.7684 Intermediate Similarity NPC473319
0.7684 Intermediate Similarity NPC3032
0.7684 Intermediate Similarity NPC281004
0.7684 Intermediate Similarity NPC33398
0.7684 Intermediate Similarity NPC90676
0.7684 Intermediate Similarity NPC128475
0.7677 Intermediate Similarity NPC29410
0.7677 Intermediate Similarity NPC200054
0.7674 Intermediate Similarity NPC320549
0.7674 Intermediate Similarity NPC156277
0.7674 Intermediate Similarity NPC151018
0.7674 Intermediate Similarity NPC58057
0.767 Intermediate Similarity NPC29705
0.7667 Intermediate Similarity NPC31302
0.7667 Intermediate Similarity NPC476176
0.7667 Intermediate Similarity NPC472310
0.7667 Intermediate Similarity NPC245029

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC161035 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
0.8763 High Similarity NPD8170 Clinical (unspecified phase)
0.8605 High Similarity NPD6928 Phase 2
0.7816 Intermediate Similarity NPD3703 Phase 2
0.7753 Intermediate Similarity NPD6697 Approved
0.7753 Intermediate Similarity NPD6115 Approved
0.7753 Intermediate Similarity NPD6114 Approved
0.7753 Intermediate Similarity NPD6118 Approved
0.7732 Intermediate Similarity NPD8171 Discontinued
0.7674 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7674 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.764 Intermediate Similarity NPD6116 Phase 1
0.7558 Intermediate Similarity NPD4245 Approved
0.7558 Intermediate Similarity NPD4244 Approved
0.7528 Intermediate Similarity NPD6117 Approved
0.75 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD3698 Phase 2
0.7442 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7416 Intermediate Similarity NPD3702 Approved
0.74 Intermediate Similarity NPD7991 Discontinued
0.7273 Intermediate Similarity NPD5777 Approved
0.7196 Intermediate Similarity NPD6412 Phase 2
0.7193 Intermediate Similarity NPD6059 Approved
0.7193 Intermediate Similarity NPD6054 Approved
0.7159 Intermediate Similarity NPD4789 Approved
0.7126 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD5360 Phase 3
0.71 Intermediate Similarity NPD8034 Phase 2
0.71 Intermediate Similarity NPD8035 Phase 2
0.7069 Intermediate Similarity NPD6370 Approved
0.7059 Intermediate Similarity NPD7736 Approved
0.7034 Intermediate Similarity NPD7507 Approved
0.6983 Remote Similarity NPD6015 Approved
0.6983 Remote Similarity NPD6016 Approved
0.6977 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6964 Remote Similarity NPD8133 Approved
0.6949 Remote Similarity NPD7492 Approved
0.6944 Remote Similarity NPD6008 Approved
0.6923 Remote Similarity NPD5988 Approved
0.6891 Remote Similarity NPD6616 Approved
0.6889 Remote Similarity NPD6081 Approved
0.6887 Remote Similarity NPD1700 Approved
0.6875 Remote Similarity NPD6882 Approved
0.686 Remote Similarity NPD7319 Approved
0.6842 Remote Similarity NPD6940 Discontinued
0.6837 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6833 Remote Similarity NPD8293 Discontinued
0.6833 Remote Similarity NPD7078 Approved
0.6818 Remote Similarity NPD7320 Approved
0.6809 Remote Similarity NPD3671 Phase 1
0.6809 Remote Similarity NPD4238 Approved
0.6809 Remote Similarity NPD4802 Phase 2
0.6789 Remote Similarity NPD5739 Approved
0.6789 Remote Similarity NPD6675 Approved
0.6789 Remote Similarity NPD7128 Approved
0.6789 Remote Similarity NPD6402 Approved
0.6783 Remote Similarity NPD6009 Approved
0.6777 Remote Similarity NPD6033 Approved
0.6757 Remote Similarity NPD6372 Approved
0.6757 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6757 Remote Similarity NPD6373 Approved
0.6705 Remote Similarity NPD4224 Phase 2
0.6703 Remote Similarity NPD4758 Discontinued
0.6699 Remote Similarity NPD6399 Phase 3
0.6667 Remote Similarity NPD6899 Approved
0.6667 Remote Similarity NPD6881 Approved
0.6638 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6637 Remote Similarity NPD6649 Approved
0.6637 Remote Similarity NPD6650 Approved
0.6633 Remote Similarity NPD4788 Approved
0.6632 Remote Similarity NPD5364 Discontinued
0.6604 Remote Similarity NPD4755 Approved
0.6593 Remote Similarity NPD4787 Phase 1
0.6583 Remote Similarity NPD6067 Discontinued
0.6577 Remote Similarity NPD5697 Approved
0.6577 Remote Similarity NPD5701 Approved
0.6569 Remote Similarity NPD5328 Approved
0.6549 Remote Similarity NPD6883 Approved
0.6549 Remote Similarity NPD7102 Approved
0.6549 Remote Similarity NPD7290 Approved
0.6542 Remote Similarity NPD7638 Approved
0.6522 Remote Similarity NPD4632 Approved
0.6518 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6518 Remote Similarity NPD6011 Approved
0.6491 Remote Similarity NPD8130 Phase 1
0.6491 Remote Similarity NPD6617 Approved
0.6491 Remote Similarity NPD6847 Approved
0.6491 Remote Similarity NPD6869 Approved
0.6491 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6484 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6481 Remote Similarity NPD4696 Approved
0.6481 Remote Similarity NPD4700 Approved
0.6481 Remote Similarity NPD7639 Approved
0.6481 Remote Similarity NPD7640 Approved
0.6481 Remote Similarity NPD5285 Approved
0.6481 Remote Similarity NPD5286 Approved
0.646 Remote Similarity NPD6013 Approved
0.646 Remote Similarity NPD6014 Approved
0.646 Remote Similarity NPD6012 Approved
0.6446 Remote Similarity NPD8328 Phase 3
0.6442 Remote Similarity NPD6079 Approved
0.6441 Remote Similarity NPD7328 Approved
0.6441 Remote Similarity NPD7327 Approved
0.6435 Remote Similarity NPD8297 Approved
0.6429 Remote Similarity NPD1779 Approved
0.6429 Remote Similarity NPD1780 Approved
0.6422 Remote Similarity NPD5223 Approved
0.64 Remote Similarity NPD4786 Approved
0.6396 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6396 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6387 Remote Similarity NPD7516 Approved
0.6381 Remote Similarity NPD4202 Approved
0.6364 Remote Similarity NPD5211 Phase 2
0.6364 Remote Similarity NPD5225 Approved
0.6364 Remote Similarity NPD7632 Discontinued
0.6364 Remote Similarity NPD4633 Approved
0.6364 Remote Similarity NPD5224 Approved
0.6364 Remote Similarity NPD5226 Approved
0.6355 Remote Similarity NPD4697 Phase 3
0.6339 Remote Similarity NPD6920 Discontinued
0.6333 Remote Similarity NPD6319 Approved
0.6333 Remote Similarity NPD8294 Approved
0.6333 Remote Similarity NPD8377 Approved
0.633 Remote Similarity NPD8418 Phase 2
0.6311 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6311 Remote Similarity NPD7604 Phase 2
0.6306 Remote Similarity NPD5174 Approved
0.6306 Remote Similarity NPD4754 Approved
0.6306 Remote Similarity NPD5175 Approved
0.63 Remote Similarity NPD3670 Clinical (unspecified phase)
0.63 Remote Similarity NPD3669 Approved
0.6296 Remote Similarity NPD6083 Phase 2
0.6296 Remote Similarity NPD6084 Phase 2
0.6296 Remote Similarity NPD7902 Approved
0.6281 Remote Similarity NPD8378 Approved
0.6281 Remote Similarity NPD5983 Phase 2
0.6281 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6281 Remote Similarity NPD8380 Approved
0.6281 Remote Similarity NPD8335 Approved
0.6281 Remote Similarity NPD8296 Approved
0.6281 Remote Similarity NPD8379 Approved
0.6281 Remote Similarity NPD8033 Approved
0.6275 Remote Similarity NPD3618 Phase 1
0.6262 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6261 Remote Similarity NPD4634 Approved
0.625 Remote Similarity NPD5141 Approved
0.6238 Remote Similarity NPD3665 Phase 1
0.6238 Remote Similarity NPD3666 Approved
0.6238 Remote Similarity NPD3133 Approved
0.621 Remote Similarity NPD6336 Discontinued
0.6204 Remote Similarity NPD5221 Approved
0.6204 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6204 Remote Similarity NPD5222 Approved
0.62 Remote Similarity NPD3667 Approved
0.6195 Remote Similarity NPD4767 Approved
0.6195 Remote Similarity NPD4768 Approved
0.6168 Remote Similarity NPD7748 Approved
0.6167 Remote Similarity NPD6335 Approved
0.6154 Remote Similarity NPD6903 Approved
0.6147 Remote Similarity NPD5173 Approved
0.6134 Remote Similarity NPD6274 Approved
0.6132 Remote Similarity NPD7515 Phase 2
0.6117 Remote Similarity NPD6409 Approved
0.6117 Remote Similarity NPD7146 Approved
0.6117 Remote Similarity NPD7334 Approved
0.6117 Remote Similarity NPD6684 Approved
0.6117 Remote Similarity NPD5330 Approved
0.6117 Remote Similarity NPD7521 Approved
0.6116 Remote Similarity NPD7100 Approved
0.6116 Remote Similarity NPD7101 Approved
0.6095 Remote Similarity NPD4753 Phase 2
0.6091 Remote Similarity NPD5696 Approved
0.6087 Remote Similarity NPD4729 Approved
0.6087 Remote Similarity NPD6686 Approved
0.6087 Remote Similarity NPD6415 Discontinued
0.6087 Remote Similarity NPD5128 Approved
0.6087 Remote Similarity NPD4730 Approved
0.6083 Remote Similarity NPD6317 Approved
0.6042 Remote Similarity NPD1810 Approved
0.6042 Remote Similarity NPD1811 Approved
0.6033 Remote Similarity NPD6314 Approved
0.6033 Remote Similarity NPD6313 Approved
0.6023 Remote Similarity NPD3198 Approved
0.6019 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6019 Remote Similarity NPD7900 Approved
0.6017 Remote Similarity NPD6053 Discontinued
0.6016 Remote Similarity NPD6909 Approved
0.6016 Remote Similarity NPD6908 Approved
0.6016 Remote Similarity NPD5956 Approved
0.6 Remote Similarity NPD7525 Registered
0.5983 Remote Similarity NPD5251 Approved
0.5983 Remote Similarity NPD5135 Approved
0.5983 Remote Similarity NPD5247 Approved
0.5983 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5983 Remote Similarity NPD5249 Phase 3
0.5983 Remote Similarity NPD5169 Approved
0.5983 Remote Similarity NPD5248 Approved
0.5983 Remote Similarity NPD5250 Approved
0.5963 Remote Similarity NPD5695 Phase 3
0.5963 Remote Similarity NPD5210 Approved

Structure

External Identifiers

PubChem CID   91453
ChEMBL   CHEMBL3185544
ZINC  

Physicochemical Properties

Molecular Weight:  430.31
ALogP:  -0.2062
MLogP:  3.99
XLogP:  4.825
# Rotatable Bonds:  5
Polar Surface Area:  55.76
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  6
# Heavy Atoms:  31

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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