Natural Product: NPC196941

Natural Product ID:  NPC196941
Common Name:   Cryptojaponol
IUPAC Name:   (4aS,10aS)-5-hydroxy-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Synonyms:   Cryptojapanol; Cryptojaponol
Molecular Formula:   C21H30O3
Standard InCHIKey:  CZEPBGSMIRTHKN-KKSFZXQISA-N
Standard InCHI:  InChI=1S/C21H30O3/c1-12(2)13-10-14-15(22)11-16-20(3,4)8-7-9-21(16,5)17(14)18(23)19(13)24-6/h10,12,16,23H,7-9,11H2,1-6H3/t16-,21-/m0/s1
Canonical SMILES:  COc1c(O)c2c(cc1C(C)C)C(=O)C[C@@H]1[C@]2(C)CCCC1(C)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
NPO997 Peltodon longipes Species Lamiaceae Eukaryota roots Santa Maria, South Brazil 2007-DEC PMID[21775156]
NPO11190 Veronica polita Species Plantaginaceae Eukaryota UNPD*
NPO24390 Juniperus rigida Species Cupressaceae Eukaryota TCMID*
NPO9555 Aplysilla tango Species Darwinellidae Eukaryota UNPD*
NPO6289 Ceropegia dichotoma Species Apocynaceae Eukaryota UNPD*
NPO11576 Glycosmis macrophylla Species Rutaceae Eukaryota UNPD*
NPO13468.1 Cryptomeria japonica var. sinensis Varieties Cupressaceae Eukaryota TCMID*
NPO7822.1 Eucalyptus globulus subsp. bicostata Subspecies Myrtaceae Eukaryota UNPD*
NPO10219 Juniperus communis Species Cupressaceae Eukaryota TCMID*
NPO5456 Juniperus drupacea Species Cupressaceae Eukaryota UNPD*
NPO1397 Cylindrocarpon lucidum Species Nectriaceae Eukaryota UNPD*
NPO865 Dendrobium loddigesii Species Orchidaceae Eukaryota UNPD*
NPO7773 Crinum moorei Species Amaryllidaceae Eukaryota UNPD*
NPO12796 Periploca sepium Species Apocynaceae Eukaryota UNPD*
NPO10922 Pentaclethra macrophylla Species Fabaceae Eukaryota UNPD*
NPO12091 Martensia denticulata Species Delesseriaceae Eukaryota UNPD*
NPO21720 Talaromyces variabilis Species Trichocomaceae Eukaryota UNPD*
NPO9704 Sonneratia caseolaris Species Lythraceae Eukaryota UNPD*
NPO22691 Mentha cardiaca Species Lamiaceae Eukaryota UNPD*
NPO1257 Distephanus angulifolius Species Asteraceae Eukaryota UNPD*
NPO526 Salvia sessei Species Lamiaceae Eukaryota UNPD*
NPO13135 Campylotropis hirtella Species Fabaceae Eukaryota UNPD*
NPO8934 Gypsophila perfoliata Species Caryophyllaceae Eukaryota UNPD*
NPO6731 Ononis spinosa Species Fabaceae Eukaryota UNPD*
NPO8215 Crepis zacintha Species Asteraceae Eukaryota UNPD*
NPO12205 Eucalyptus apodophylla Species Myrtaceae Eukaryota UNPD*
NPO10605 Tristania conferta Species Myrtaceae Eukaryota UNPD*
NPO9532 Vernonia cistifolia Species Asteraceae Eukaryota UNPD*
NPO12565 Hypericum polyanthemum Species Hypericaceae Eukaryota UNPD*
NPO11843 Stephania zippeliana Species Menispermaceae Eukaryota UNPD*
NPO5043 Eria japonica Species Orchidaceae Eukaryota UNPD*
NPO1809 Delphinium scabriflorum Species Ranunculaceae Eukaryota UNPD*
NPO23384 Rhodiola semenovii Species Crassulaceae Eukaryota UNPD*
NPO2267 Liatris tenuifolia Species Asteraceae Eukaryota UNPD*
NPO10638 Plectranthus myrianthus Species Lamiaceae Eukaryota UNPD*
NPO3873 Crotalaria candicans Species Fabaceae Eukaryota UNPD*
NPO9319 Pterocaulon virgatum Species Asteraceae Eukaryota UNPD*
NPO7646 Edgeworthia chrysantha Species Thymelaeaceae Eukaryota UNPD*
NPO1815 Breonia chinensis Species Rubiaceae Eukaryota UNPD*
NPO21045 Salvia staminea Species Lamiaceae Eukaryota TCMID*
NPO6471 Trillium camtschaticum Species Melanthiaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1515 Organism SARS coronavirus SARS coronavirus EC50 > 10000 nM 17663539
NPT189 Cell Line Vero Chlorocebus aethiops CC50 = 78500 nM 17663539
NPT2 Others Unspecified Ratio CC50/EC50 < 7.9 17663539
NPT1515 Organism SARS coronavirus SARS coronavirus Inhibition < 25 % 17663539
NPT783 Cell Line MIA PaCa-2 Homo sapiens IC50 > 100000 nM 21775156
NPT2 Others Unspecified IC50 > 80000 nM 21775156

  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 NPC196941 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 NPC309169
0.9786 High Similarity NPC52692
0.9366 High Similarity NPC225351
0.9291 High Similarity NPC169214
0.9291 High Similarity NPC192597
0.9291 High Similarity NPC229218
0.9291 High Similarity NPC176030
0.9291 High Similarity NPC141817
0.9197 High Similarity NPC111845
0.9155 High Similarity NPC11314
0.9116 High Similarity NPC124842
0.9058 High Similarity NPC138472
0.9054 High Similarity NPC164912
0.9034 High Similarity NPC58752
0.8993 High Similarity NPC62051
0.8986 High Similarity NPC472838
0.8986 High Similarity NPC306011
0.8986 High Similarity NPC473201
0.8986 High Similarity NPC118427
0.8986 High Similarity NPC144283
0.8986 High Similarity NPC302783
0.8973 High Similarity NPC470757
0.8966 High Similarity NPC160777
0.8966 High Similarity NPC73416
0.8929 High Similarity NPC153088
0.8913 High Similarity NPC164295
0.8904 High Similarity NPC39361
0.8881 High Similarity NPC471853
0.8874 High Similarity NPC213401
0.8865 High Similarity NPC471670
0.8851 High Similarity NPC237441
0.8844 High Similarity NPC58373
0.8828 High Similarity NPC50954
0.8816 High Similarity NPC37543
0.8816 High Similarity NPC199463
0.8794 High Similarity NPC252343
0.8794 High Similarity NPC95485
0.8794 High Similarity NPC88065
0.8794 High Similarity NPC89504
0.8792 High Similarity NPC295977
0.8792 High Similarity NPC58310
0.8784 High Similarity NPC471852
0.8777 High Similarity NPC239134
0.8767 High Similarity NPC300603
0.8767 High Similarity NPC91694
0.8759 High Similarity NPC248068
0.875 High Similarity NPC77807
0.875 High Similarity NPC14561
0.875 High Similarity NPC5379
0.8741 High Similarity NPC230811
0.8733 High Similarity NPC75377
0.8733 High Similarity NPC78505
0.8725 High Similarity NPC303989
0.8725 High Similarity NPC472837
0.8707 High Similarity NPC75295
0.8701 High Similarity NPC21046
0.8701 High Similarity NPC185617
0.8699 High Similarity NPC209085
0.8699 High Similarity NPC224884
0.8696 High Similarity NPC201069
0.8693 High Similarity NPC178976
0.869 High Similarity NPC84273
0.8675 High Similarity NPC161778
0.8662 High Similarity NPC263212
0.8643 High Similarity NPC291001
0.8627 High Similarity NPC279605
0.8627 High Similarity NPC288353
0.8623 High Similarity NPC176130
0.8623 High Similarity NPC78364
0.8623 High Similarity NPC69424
0.8623 High Similarity NPC84672
0.8618 High Similarity NPC273248
0.8618 High Similarity NPC107109
0.8618 High Similarity NPC305710
0.86 High Similarity NPC261322
0.8581 High Similarity NPC84571
0.8581 High Similarity NPC258856
0.8571 High Similarity NPC167098
0.8571 High Similarity NPC296044
0.8571 High Similarity NPC108129
0.8553 High Similarity NPC137125
0.8553 High Similarity NPC149889
0.8553 High Similarity NPC312338
0.8553 High Similarity NPC3744
0.8552 High Similarity NPC223336
0.8551 High Similarity NPC474737
0.8542 High Similarity NPC277559
0.8542 High Similarity NPC49911
0.8526 High Similarity NPC311740
0.8516 High Similarity NPC245891
0.8516 High Similarity NPC104876
0.8514 High Similarity NPC472836
0.8514 High Similarity NPC275278
0.8511 High Similarity NPC471851
0.8503 High Similarity NPC184935
0.8497 Intermediate Similarity NPC93552
0.8493 Intermediate Similarity NPC476534
0.8493 Intermediate Similarity NPC82336
0.8493 Intermediate Similarity NPC78987
0.8489 Intermediate Similarity NPC72667
0.8489 Intermediate Similarity NPC32163
0.8489 Intermediate Similarity NPC16651
0.8487 Intermediate Similarity NPC70320
0.8487 Intermediate Similarity NPC272566
0.8481 Intermediate Similarity NPC26386
0.8477 Intermediate Similarity NPC142654
0.8467 Intermediate Similarity NPC77598
0.8462 Intermediate Similarity NPC202225
0.8456 Intermediate Similarity NPC157133
0.8451 Intermediate Similarity NPC183103
0.8446 Intermediate Similarity NPC239608
0.8446 Intermediate Similarity NPC46161
0.8446 Intermediate Similarity NPC46880
0.844 Intermediate Similarity NPC66905
0.8421 Intermediate Similarity NPC31132
0.8421 Intermediate Similarity NPC472279
0.8421 Intermediate Similarity NPC225854
0.8421 Intermediate Similarity NPC475718
0.8417 Intermediate Similarity NPC254492
0.8411 Intermediate Similarity NPC475848
0.8411 Intermediate Similarity NPC474306
0.8408 Intermediate Similarity NPC472906
0.8406 Intermediate Similarity NPC30216
0.8403 Intermediate Similarity NPC258502
0.8403 Intermediate Similarity NPC22644
0.84 Intermediate Similarity NPC246229
0.84 Intermediate Similarity NPC191899
0.8397 Intermediate Similarity NPC235448
0.8392 Intermediate Similarity NPC78307
0.8392 Intermediate Similarity NPC477139
0.8392 Intermediate Similarity NPC227719
0.8389 Intermediate Similarity NPC207732
0.8389 Intermediate Similarity NPC308006
0.8389 Intermediate Similarity NPC105213
0.8378 Intermediate Similarity NPC86455
0.8378 Intermediate Similarity NPC137920
0.8378 Intermediate Similarity NPC125134
0.8378 Intermediate Similarity NPC201297
0.8369 Intermediate Similarity NPC303910
0.8369 Intermediate Similarity NPC171460
0.8369 Intermediate Similarity NPC276238
0.8369 Intermediate Similarity NPC206028
0.8367 Intermediate Similarity NPC470035
0.8366 Intermediate Similarity NPC115869
0.8355 Intermediate Similarity NPC134293
0.8355 Intermediate Similarity NPC474305
0.8355 Intermediate Similarity NPC37220
0.8354 Intermediate Similarity NPC149389
0.8354 Intermediate Similarity NPC470694
0.8344 Intermediate Similarity NPC141574
0.8344 Intermediate Similarity NPC155302
0.8344 Intermediate Similarity NPC161947
0.8333 Intermediate Similarity NPC161960
0.8333 Intermediate Similarity NPC470038
0.8333 Intermediate Similarity NPC293454
0.8333 Intermediate Similarity NPC304008
0.8333 Intermediate Similarity NPC478019
0.8333 Intermediate Similarity NPC180011
0.8333 Intermediate Similarity NPC143328
0.8333 Intermediate Similarity NPC187745
0.8333 Intermediate Similarity NPC219867
0.8333 Intermediate Similarity NPC213122
0.8322 Intermediate Similarity NPC163948
0.8322 Intermediate Similarity NPC312560
0.8312 Intermediate Similarity NPC131121
0.8312 Intermediate Similarity NPC180388
0.8312 Intermediate Similarity NPC180944
0.8312 Intermediate Similarity NPC474993
0.8311 Intermediate Similarity NPC472410
0.831 Intermediate Similarity NPC470725
0.8302 Intermediate Similarity NPC220313
0.8302 Intermediate Similarity NPC236132
0.8302 Intermediate Similarity NPC270837
0.8301 Intermediate Similarity NPC473680
0.8301 Intermediate Similarity NPC473579
0.8301 Intermediate Similarity NPC475454
0.8301 Intermediate Similarity NPC475311
0.8299 Intermediate Similarity NPC470407
0.8298 Intermediate Similarity NPC3009
0.8293 Intermediate Similarity NPC475054
0.8291 Intermediate Similarity NPC131905
0.8291 Intermediate Similarity NPC87431
0.8291 Intermediate Similarity NPC318081
0.8289 Intermediate Similarity NPC55327
0.8289 Intermediate Similarity NPC474556
0.8288 Intermediate Similarity NPC475957
0.8286 Intermediate Similarity NPC179777
0.8278 Intermediate Similarity NPC474991
0.8273 Intermediate Similarity NPC199273
0.8269 Intermediate Similarity NPC276815
0.8269 Intermediate Similarity NPC109765
0.8269 Intermediate Similarity NPC470762
0.8269 Intermediate Similarity NPC474167
0.8269 Intermediate Similarity NPC115853
0.8269 Intermediate Similarity NPC25850
0.8267 Intermediate Similarity NPC260152
0.8264 Intermediate Similarity NPC59459
0.8264 Intermediate Similarity NPC327410
0.8264 Intermediate Similarity NPC4170
0.8258 Intermediate Similarity NPC474000

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC196941 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
0.8199 Intermediate Similarity NPD7473 Discontinued
0.8188 Intermediate Similarity NPD7003 Approved
0.8125 Intermediate Similarity NPD6232 Discontinued
0.8117 Intermediate Similarity NPD7458 Discontinued
0.8099 Intermediate Similarity NPD9494 Approved
0.7945 Intermediate Similarity NPD3620 Phase 2
0.7945 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7872 Intermediate Similarity NPD3972 Approved
0.7857 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7829 Intermediate Similarity NPD8166 Discontinued
0.7817 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7799 Intermediate Similarity NPD2801 Approved
0.7799 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD5844 Phase 1
0.7748 Intermediate Similarity NPD2346 Discontinued
0.7736 Intermediate Similarity NPD1934 Approved
0.7733 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7712 Intermediate Similarity NPD4628 Phase 3
0.7702 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7702 Intermediate Similarity NPD3882 Suspended
0.7647 Intermediate Similarity NPD3534 Clinical (unspecified phase)
0.7639 Intermediate Similarity NPD1283 Approved
0.7616 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7589 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7589 Intermediate Similarity NPD1651 Approved
0.758 Intermediate Similarity NPD6273 Approved
0.7578 Intermediate Similarity NPD1465 Phase 2
0.7566 Intermediate Similarity NPD2935 Discontinued
0.7566 Intermediate Similarity NPD6099 Approved
0.7566 Intermediate Similarity NPD6100 Approved
0.7547 Intermediate Similarity NPD3226 Approved
0.7535 Intermediate Similarity NPD4626 Approved
0.7535 Intermediate Similarity NPD3019 Approved
0.7532 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD2532 Approved
0.7516 Intermediate Similarity NPD2534 Approved
0.7516 Intermediate Similarity NPD2533 Approved
0.75 Intermediate Similarity NPD2799 Discontinued
0.75 Intermediate Similarity NPD6234 Discontinued
0.75 Intermediate Similarity NPD7028 Phase 2
0.7485 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD6166 Phase 2
0.7483 Intermediate Similarity NPD1607 Approved
0.7457 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7455 Intermediate Similarity NPD5494 Approved
0.7452 Intermediate Similarity NPD1511 Approved
0.7452 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD1281 Approved
0.7423 Intermediate Similarity NPD5978 Approved
0.7423 Intermediate Similarity NPD5977 Approved
0.7415 Intermediate Similarity NPD2798 Approved
0.7413 Intermediate Similarity NPD2932 Approved
0.7413 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD6959 Discontinued
0.7407 Intermediate Similarity NPD37 Approved
0.7403 Intermediate Similarity NPD2344 Approved
0.7397 Intermediate Similarity NPD1876 Approved
0.7396 Intermediate Similarity NPD3818 Discontinued
0.7391 Intermediate Similarity NPD4380 Phase 2
0.7362 Intermediate Similarity NPD7819 Suspended
0.7358 Intermediate Similarity NPD1512 Approved
0.7355 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD4060 Phase 1
0.7351 Intermediate Similarity NPD1240 Approved
0.7351 Intermediate Similarity NPD943 Approved
0.7347 Intermediate Similarity NPD1470 Approved
0.7324 Intermediate Similarity NPD5536 Phase 2
0.7312 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD1201 Approved
0.7305 Intermediate Similarity NPD8127 Discontinued
0.7296 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7285 Intermediate Similarity NPD8032 Phase 2
0.7284 Intermediate Similarity NPD6599 Discontinued
0.7273 Intermediate Similarity NPD4967 Phase 2
0.7273 Intermediate Similarity NPD4965 Approved
0.7273 Intermediate Similarity NPD1510 Phase 2
0.7273 Intermediate Similarity NPD4966 Approved
0.7267 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD228 Approved
0.7261 Intermediate Similarity NPD4110 Phase 3
0.7261 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7261 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD4097 Suspended
0.7255 Intermediate Similarity NPD6651 Approved
0.7239 Intermediate Similarity NPD6873 Phase 2
0.7233 Intermediate Similarity NPD7390 Discontinued
0.7229 Intermediate Similarity NPD7075 Discontinued
0.7226 Intermediate Similarity NPD5405 Approved
0.7226 Intermediate Similarity NPD5404 Approved
0.7226 Intermediate Similarity NPD5406 Approved
0.7226 Intermediate Similarity NPD5408 Approved
0.7222 Intermediate Similarity NPD5691 Approved
0.7219 Intermediate Similarity NPD2313 Discontinued
0.7215 Intermediate Similarity NPD2309 Approved
0.7212 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD3817 Phase 2
0.7211 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD7074 Phase 3
0.7197 Intermediate Similarity NPD6674 Discontinued
0.7197 Intermediate Similarity NPD2800 Approved
0.7193 Intermediate Similarity NPD7228 Approved
0.7191 Intermediate Similarity NPD2490 Approved
0.7191 Intermediate Similarity NPD2488 Approved
0.719 Intermediate Similarity NPD447 Suspended
0.719 Intermediate Similarity NPD230 Phase 1
0.7179 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7163 Intermediate Similarity NPD5283 Phase 1
0.7161 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD3750 Approved
0.7152 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD7054 Approved
0.7143 Intermediate Similarity NPD8313 Approved
0.7143 Intermediate Similarity NPD8312 Approved
0.7124 Intermediate Similarity NPD2979 Phase 3
0.7117 Intermediate Similarity NPD824 Approved
0.7115 Intermediate Similarity NPD2438 Suspended
0.7113 Intermediate Similarity NPD5951 Approved
0.711 Intermediate Similarity NPD7472 Approved
0.7105 Intermediate Similarity NPD3764 Approved
0.7101 Intermediate Similarity NPD7199 Phase 2
0.7081 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD3657 Discovery
0.7076 Intermediate Similarity NPD2898 Approved
0.7067 Intermediate Similarity NPD4624 Approved
0.7059 Intermediate Similarity NPD6663 Approved
0.7039 Intermediate Similarity NPD7008 Discontinued
0.7039 Intermediate Similarity NPD7095 Approved
0.703 Intermediate Similarity NPD7411 Suspended
0.7029 Intermediate Similarity NPD7685 Pre-registration
0.7025 Intermediate Similarity NPD1549 Phase 2
0.7022 Intermediate Similarity NPD8150 Discontinued
0.702 Intermediate Similarity NPD5736 Approved
0.7018 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD4140 Approved
0.7012 Intermediate Similarity NPD2649 Approved
0.7012 Intermediate Similarity NPD2651 Approved
0.7007 Intermediate Similarity NPD3026 Approved
0.7007 Intermediate Similarity NPD3023 Approved
0.7006 Intermediate Similarity NPD2796 Approved
0.7 Intermediate Similarity NPD6190 Approved
0.7 Intermediate Similarity NPD2797 Approved
0.6994 Remote Similarity NPD7177 Discontinued
0.6993 Remote Similarity NPD6798 Discontinued
0.6993 Remote Similarity NPD3268 Approved
0.6989 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6989 Remote Similarity NPD2491 Approved
0.6988 Remote Similarity NPD6801 Discontinued
0.6986 Remote Similarity NPD3025 Approved
0.6986 Remote Similarity NPD3024 Approved
0.6973 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6971 Remote Similarity NPD6797 Phase 2
0.6968 Remote Similarity NPD6355 Discontinued
0.6968 Remote Similarity NPD5735 Approved
0.6962 Remote Similarity NPD1471 Phase 3
0.6962 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6962 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6959 Remote Similarity NPD5710 Approved
0.6959 Remote Similarity NPD5711 Approved
0.6957 Remote Similarity NPD3300 Phase 2
0.6943 Remote Similarity NPD4308 Phase 3
0.6933 Remote Similarity NPD5049 Phase 3
0.6932 Remote Similarity NPD7251 Discontinued
0.6932 Remote Similarity NPD6559 Discontinued
0.6928 Remote Similarity NPD3027 Phase 3
0.6927 Remote Similarity NPD8434 Phase 2
0.6923 Remote Similarity NPD3749 Approved
0.6923 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6919 Remote Similarity NPD3926 Phase 2
0.6914 Remote Similarity NPD6799 Approved
0.6913 Remote Similarity NPD1608 Approved
0.6905 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6901 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6899 Remote Similarity NPD4476 Approved
0.6899 Remote Similarity NPD2531 Phase 2
0.6899 Remote Similarity NPD4477 Approved
0.6898 Remote Similarity NPD3057 Approved
0.6898 Remote Similarity NPD3448 Approved
0.6893 Remote Similarity NPD7808 Phase 3
0.6882 Remote Similarity NPD6780 Approved
0.6882 Remote Similarity NPD6776 Approved
0.6882 Remote Similarity NPD6781 Approved
0.6882 Remote Similarity NPD6778 Approved
0.6882 Remote Similarity NPD6777 Approved
0.6882 Remote Similarity NPD6779 Approved
0.6882 Remote Similarity NPD6782 Approved
0.6879 Remote Similarity NPD3021 Approved
0.6879 Remote Similarity NPD3022 Approved
0.6879 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6867 Remote Similarity NPD5327 Phase 3
0.6864 Remote Similarity NPD7768 Phase 2
0.6859 Remote Similarity NPD1933 Approved
0.6846 Remote Similarity NPD3092 Approved
0.6846 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6845 Remote Similarity NPD2493 Approved

Structure

External Identifiers

PubChem CID   11724205
ChEMBL   CHEMBL243330
ZINC  

Physicochemical Properties

Molecular Weight:  330.22
ALogP:  0.7241
MLogP:  3.44
XLogP:  5.639
# Rotatable Bonds:  9
Polar Surface Area:  46.53
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  24

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs