Natural Product: NPC239134

Natural Product ID:  NPC239134
Common Name:   5,6-Didehydro-O-Methylsugiol
IUPAC Name:   (4aS)-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one
Synonyms:  
Molecular Formula:   C21H28O2
Standard InCHIKey:  UOTMTFHWVAHDHO-OAQYLSRUSA-N
Standard InCHI:  InChI=1S/C21H28O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-13H,7-9H2,1-6H3/t21-/m1/s1
Canonical SMILES:  COc1cc2c(cc1C(C)C)C(=O)C=C1[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
NPO11843 Stephania zippeliana Species Menispermaceae Eukaryota UNPD*
NPO5043 Eria japonica Species Orchidaceae Eukaryota UNPD*
NPO9704 Sonneratia caseolaris Species Lythraceae Eukaryota UNPD*
NPO21720 Talaromyces variabilis Species Trichocomaceae Eukaryota UNPD*
NPO1257 Distephanus angulifolius Species Asteraceae Eukaryota UNPD*
NPO865 Dendrobium loddigesii Species Orchidaceae Eukaryota UNPD*
NPO23384 Rhodiola semenovii Species Crassulaceae Eukaryota UNPD*
NPO7822.1 Eucalyptus globulus subsp. bicostata Subspecies Myrtaceae Eukaryota UNPD*
NPO12796 Periploca sepium Species Apocynaceae Eukaryota UNPD*
NPO9319 Pterocaulon virgatum Species Asteraceae Eukaryota UNPD*
NPO10605 Tristania conferta Species Myrtaceae Eukaryota UNPD*
NPO12091 Martensia denticulata Species Delesseriaceae Eukaryota UNPD*
NPO9532 Vernonia cistifolia Species Asteraceae Eukaryota UNPD*
NPO8934 Gypsophila perfoliata Species Caryophyllaceae Eukaryota UNPD*
NPO3873 Crotalaria candicans Species Fabaceae Eukaryota UNPD*
NPO1815 Breonia chinensis Species Rubiaceae Eukaryota UNPD*
NPO11190 Veronica polita Species Plantaginaceae Eukaryota UNPD*
NPO5456 Juniperus drupacea Species Cupressaceae Eukaryota UNPD*
NPO10638 Plectranthus myrianthus Species Lamiaceae Eukaryota UNPD*
NPO10922 Pentaclethra macrophylla Species Fabaceae Eukaryota UNPD*
NPO12565 Hypericum polyanthemum Species Hypericaceae Eukaryota UNPD*
NPO6289 Ceropegia dichotoma Species Apocynaceae Eukaryota UNPD*
NPO526 Salvia sessei Species Lamiaceae Eukaryota UNPD*
NPO6731 Ononis spinosa Species Fabaceae Eukaryota UNPD*
NPO11576 Glycosmis macrophylla Species Rutaceae Eukaryota UNPD*
NPO13135 Campylotropis hirtella Species Fabaceae Eukaryota UNPD*
NPO20067 Salvia pachyphylla Species Lamiaceae Eukaryota PMID[17190465]
NPO2794 Salvia clevelandii Species Lamiaceae Eukaryota PMID[17190465]
NPO12205 Eucalyptus apodophylla Species Myrtaceae Eukaryota UNPD*
NPO22691 Mentha cardiaca Species Lamiaceae Eukaryota UNPD*
NPO7773 Crinum moorei Species Amaryllidaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT179 Cell Line A2780 Homo sapiens GI50 = 16000 nM 17190465
NPT1577 Cell Line SW1573 Homo sapiens GI50 = 18000 nM 17190465
NPT1183 Cell Line WiDr Homo sapiens GI50 = 29000 nM 17190465
NPT396 Cell Line T47D Homo sapiens GI50 = 33000 nM 17190465
NPT1723 Cell Line HBL-100 Homo sapiens GI50 = 16000 nM 17190465

  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 NPC239134 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
0.984 High Similarity NPC164295
0.9612 High Similarity NPC471670
0.9606 High Similarity NPC183103
0.9597 High Similarity NPC474737
0.928 High Similarity NPC75432
0.9098 High Similarity NPC186647
0.9098 High Similarity NPC290601
0.9091 High Similarity NPC22644
0.9077 High Similarity NPC279596
0.8939 High Similarity NPC470406
0.8915 High Similarity NPC72667
0.8864 High Similarity NPC312560
0.8837 High Similarity NPC177925
0.8837 High Similarity NPC254492
0.8824 High Similarity NPC470407
0.8779 High Similarity NPC171460
0.8777 High Similarity NPC196941
0.8777 High Similarity NPC309169
0.8769 High Similarity NPC84672
0.8769 High Similarity NPC428300
0.8769 High Similarity NPC69424
0.8769 High Similarity NPC176130
0.8769 High Similarity NPC78364
0.8768 High Similarity NPC201297
0.8731 High Similarity NPC213122
0.8712 High Similarity NPC470725
0.8682 High Similarity NPC199273
0.8667 High Similarity NPC88065
0.8667 High Similarity NPC95485
0.8667 High Similarity NPC89504
0.8647 High Similarity NPC471851
0.8643 High Similarity NPC472836
0.8636 High Similarity NPC57552
0.8592 High Similarity NPC52692
0.8571 High Similarity NPC108129
0.8571 High Similarity NPC167663
0.8561 High Similarity NPC96024
0.8561 High Similarity NPC3009
0.856 High Similarity NPC312105
0.855 High Similarity NPC474264
0.8527 High Similarity NPC282577
0.8519 High Similarity NPC59459
0.8519 High Similarity NPC477139
0.8519 High Similarity NPC78307
0.8511 High Similarity NPC290038
0.8511 High Similarity NPC308006
0.8511 High Similarity NPC260152
0.8496 Intermediate Similarity NPC206028
0.8496 Intermediate Similarity NPC276238
0.8496 Intermediate Similarity NPC303910
0.8492 Intermediate Similarity NPC469954
0.8478 Intermediate Similarity NPC233707
0.8462 Intermediate Similarity NPC478163
0.8462 Intermediate Similarity NPC182646
0.8456 Intermediate Similarity NPC27394
0.8456 Intermediate Similarity NPC1249
0.8456 Intermediate Similarity NPC202225
0.8456 Intermediate Similarity NPC324117
0.8456 Intermediate Similarity NPC209858
0.8451 Intermediate Similarity NPC225351
0.8451 Intermediate Similarity NPC49282
0.845 Intermediate Similarity NPC154696
0.8444 Intermediate Similarity NPC165612
0.844 Intermediate Similarity NPC53016
0.8433 Intermediate Similarity NPC253488
0.8425 Intermediate Similarity NPC27615
0.8417 Intermediate Similarity NPC223336
0.8406 Intermediate Similarity NPC301341
0.8403 Intermediate Similarity NPC472841
0.8397 Intermediate Similarity NPC30216
0.8397 Intermediate Similarity NPC56332
0.8382 Intermediate Similarity NPC138472
0.838 Intermediate Similarity NPC189650
0.8333 Intermediate Similarity NPC123506
0.8333 Intermediate Similarity NPC470858
0.8333 Intermediate Similarity NPC232387
0.8322 Intermediate Similarity NPC478019
0.8311 Intermediate Similarity NPC478161
0.8311 Intermediate Similarity NPC478159
0.831 Intermediate Similarity NPC215451
0.831 Intermediate Similarity NPC277369
0.831 Intermediate Similarity NPC163948
0.8309 Intermediate Similarity NPC474340
0.8306 Intermediate Similarity NPC470723
0.8299 Intermediate Similarity NPC10429
0.8296 Intermediate Similarity NPC245395
0.8281 Intermediate Similarity NPC171023
0.8276 Intermediate Similarity NPC474306
0.8276 Intermediate Similarity NPC95526
0.8276 Intermediate Similarity NPC472839
0.8276 Intermediate Similarity NPC475848
0.8273 Intermediate Similarity NPC470722
0.8273 Intermediate Similarity NPC470721
0.8273 Intermediate Similarity NPC6100
0.8273 Intermediate Similarity NPC156888
0.8273 Intermediate Similarity NPC475957
0.8273 Intermediate Similarity NPC284184
0.8273 Intermediate Similarity NPC119542
0.8252 Intermediate Similarity NPC471451
0.8248 Intermediate Similarity NPC111845
0.8244 Intermediate Similarity NPC152946
0.8239 Intermediate Similarity NPC86455
0.8239 Intermediate Similarity NPC176030
0.8239 Intermediate Similarity NPC192597
0.8239 Intermediate Similarity NPC169214
0.8239 Intermediate Similarity NPC137920
0.8239 Intermediate Similarity NPC11314
0.8239 Intermediate Similarity NPC229218
0.8239 Intermediate Similarity NPC141817
0.8239 Intermediate Similarity NPC125134
0.8239 Intermediate Similarity NPC69755
0.8235 Intermediate Similarity NPC477412
0.8235 Intermediate Similarity NPC301717
0.8231 Intermediate Similarity NPC32322
0.8231 Intermediate Similarity NPC472838
0.8231 Intermediate Similarity NPC306011
0.8231 Intermediate Similarity NPC144283
0.8231 Intermediate Similarity NPC474414
0.8231 Intermediate Similarity NPC259703
0.8227 Intermediate Similarity NPC109007
0.8219 Intermediate Similarity NPC474305
0.8219 Intermediate Similarity NPC472298
0.8219 Intermediate Similarity NPC329933
0.8219 Intermediate Similarity NPC80370
0.8214 Intermediate Similarity NPC23870
0.8214 Intermediate Similarity NPC475104
0.8209 Intermediate Similarity NPC45537
0.8207 Intermediate Similarity NPC126767
0.8207 Intermediate Similarity NPC478018
0.8207 Intermediate Similarity NPC312929
0.8207 Intermediate Similarity NPC34802
0.8207 Intermediate Similarity NPC118027
0.8207 Intermediate Similarity NPC58373
0.8207 Intermediate Similarity NPC289042
0.8207 Intermediate Similarity NPC245584
0.8207 Intermediate Similarity NPC190648
0.8207 Intermediate Similarity NPC56433
0.8195 Intermediate Similarity NPC137750
0.8182 Intermediate Similarity NPC3732
0.8182 Intermediate Similarity NPC84266
0.8182 Intermediate Similarity NPC474691
0.8182 Intermediate Similarity NPC11799
0.8182 Intermediate Similarity NPC141252
0.8163 Intermediate Similarity NPC474660
0.8163 Intermediate Similarity NPC470568
0.8163 Intermediate Similarity NPC140133
0.816 Intermediate Similarity NPC23332
0.8156 Intermediate Similarity NPC476191
0.8156 Intermediate Similarity NPC1268
0.8154 Intermediate Similarity NPC238861
0.8154 Intermediate Similarity NPC77000
0.8151 Intermediate Similarity NPC472056
0.8148 Intermediate Similarity NPC59502
0.8148 Intermediate Similarity NPC181675
0.8143 Intermediate Similarity NPC24394
0.8143 Intermediate Similarity NPC36868
0.8143 Intermediate Similarity NPC471542
0.8138 Intermediate Similarity NPC473927
0.8134 Intermediate Similarity NPC71610
0.8129 Intermediate Similarity NPC281513
0.8129 Intermediate Similarity NPC22222
0.8125 Intermediate Similarity NPC245522
0.8125 Intermediate Similarity NPC114513
0.8125 Intermediate Similarity NPC471305
0.812 Intermediate Similarity NPC111088
0.8116 Intermediate Similarity NPC263817
0.8112 Intermediate Similarity NPC126534
0.8112 Intermediate Similarity NPC94076
0.8112 Intermediate Similarity NPC232021
0.8112 Intermediate Similarity NPC182255
0.8112 Intermediate Similarity NPC40118
0.8108 Intermediate Similarity NPC124842
0.8108 Intermediate Similarity NPC470569
0.8108 Intermediate Similarity NPC230848
0.8102 Intermediate Similarity NPC205360
0.8102 Intermediate Similarity NPC196979
0.8102 Intermediate Similarity NPC470976
0.8102 Intermediate Similarity NPC470977
0.8099 Intermediate Similarity NPC109232
0.8095 Intermediate Similarity NPC158338
0.8095 Intermediate Similarity NPC100985
0.8095 Intermediate Similarity NPC237441
0.8095 Intermediate Similarity NPC97028
0.8095 Intermediate Similarity NPC97029
0.8095 Intermediate Similarity NPC288036
0.8095 Intermediate Similarity NPC65589
0.8088 Intermediate Similarity NPC117899
0.8085 Intermediate Similarity NPC230811
0.8082 Intermediate Similarity NPC474999
0.808 Intermediate Similarity NPC183648
0.8079 Intermediate Similarity NPC272196
0.8071 Intermediate Similarity NPC232996
0.8071 Intermediate Similarity NPC307401
0.8069 Intermediate Similarity NPC258856
0.8069 Intermediate Similarity NPC478160
0.8062 Intermediate Similarity NPC25648
0.806 Intermediate Similarity NPC4286
0.806 Intermediate Similarity NPC76119
0.8058 Intermediate Similarity NPC274876
0.8056 Intermediate Similarity NPC472840

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC239134 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
0.8819 High Similarity NPD3972 Approved
0.8504 High Similarity NPD1651 Approved
0.8429 Intermediate Similarity NPD7003 Approved
0.8308 Intermediate Similarity NPD1281 Approved
0.8258 Intermediate Similarity NPD1876 Approved
0.8154 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.812 Intermediate Similarity NPD1283 Approved
0.8095 Intermediate Similarity NPD7458 Discontinued
0.8077 Intermediate Similarity NPD5691 Approved
0.8015 Intermediate Similarity NPD4626 Approved
0.8 Intermediate Similarity NPD2798 Approved
0.7971 Intermediate Similarity NPD8032 Phase 2
0.7958 Intermediate Similarity NPD2346 Discontinued
0.7914 Intermediate Similarity NPD2979 Phase 3
0.7891 Intermediate Similarity NPD6273 Approved
0.7817 Intermediate Similarity NPD2799 Discontinued
0.7763 Intermediate Similarity NPD7819 Suspended
0.7762 Intermediate Similarity NPD6099 Approved
0.7762 Intermediate Similarity NPD2796 Approved
0.7762 Intermediate Similarity NPD2935 Discontinued
0.7762 Intermediate Similarity NPD6100 Approved
0.7752 Intermediate Similarity NPD1241 Discontinued
0.7744 Intermediate Similarity NPD2932 Approved
0.7724 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD3748 Approved
0.7676 Intermediate Similarity NPD1607 Approved
0.7671 Intermediate Similarity NPD4628 Phase 3
0.7669 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7669 Intermediate Similarity NPD3025 Approved
0.7669 Intermediate Similarity NPD3024 Approved
0.7639 Intermediate Similarity NPD2531 Phase 2
0.7639 Intermediate Similarity NPD2438 Suspended
0.763 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD3226 Approved
0.7616 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7612 Intermediate Similarity NPD3019 Approved
0.7597 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD1471 Phase 3
0.7569 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7556 Intermediate Similarity NPD3023 Approved
0.7556 Intermediate Similarity NPD3026 Approved
0.7551 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7535 Intermediate Similarity NPD1240 Approved
0.7534 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7518 Intermediate Similarity NPD5327 Phase 3
0.75 Intermediate Similarity NPD7473 Discontinued
0.7484 Intermediate Similarity NPD5616 Clinical (unspecified phase)
0.7481 Intermediate Similarity NPD17 Approved
0.7468 Intermediate Similarity NPD6959 Discontinued
0.7467 Intermediate Similarity NPD2532 Approved
0.7467 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD2534 Approved
0.7467 Intermediate Similarity NPD2533 Approved
0.7466 Intermediate Similarity NPD2344 Approved
0.7451 Intermediate Similarity NPD6599 Discontinued
0.7448 Intermediate Similarity NPD1510 Phase 2
0.7432 Intermediate Similarity NPD3750 Approved
0.7431 Intermediate Similarity NPD4097 Suspended
0.7431 Intermediate Similarity NPD6651 Approved
0.7421 Intermediate Similarity NPD6232 Discontinued
0.7413 Intermediate Similarity NPD4307 Phase 2
0.741 Intermediate Similarity NPD3267 Approved
0.741 Intermediate Similarity NPD3266 Approved
0.7405 Intermediate Similarity NPD5494 Approved
0.7394 Intermediate Similarity NPD2313 Discontinued
0.7391 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7388 Intermediate Similarity NPD5536 Phase 2
0.7372 Intermediate Similarity NPD1201 Approved
0.7372 Intermediate Similarity NPD5978 Approved
0.7372 Intermediate Similarity NPD5977 Approved
0.7357 Intermediate Similarity NPD4624 Approved
0.7347 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD7028 Phase 2
0.7319 Intermediate Similarity NPD1608 Approved
0.7315 Intermediate Similarity NPD8166 Discontinued
0.7308 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD5844 Phase 1
0.7292 Intermediate Similarity NPD4140 Approved
0.7292 Intermediate Similarity NPD3140 Approved
0.7292 Intermediate Similarity NPD3142 Approved
0.729 Intermediate Similarity NPD6873 Phase 2
0.7286 Intermediate Similarity NPD1470 Approved
0.7286 Intermediate Similarity NPD2797 Approved
0.7285 Intermediate Similarity NPD7390 Discontinued
0.7279 Intermediate Similarity NPD4476 Approved
0.7279 Intermediate Similarity NPD5585 Approved
0.7279 Intermediate Similarity NPD4477 Approved
0.7273 Intermediate Similarity NPD3268 Approved
0.7267 Intermediate Similarity NPD2309 Approved
0.7261 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7254 Intermediate Similarity NPD6832 Phase 2
0.7248 Intermediate Similarity NPD1243 Approved
0.7248 Intermediate Similarity NPD2800 Approved
0.7246 Intermediate Similarity NPD1611 Approved
0.7237 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD1778 Approved
0.7226 Intermediate Similarity NPD4380 Phase 2
0.7218 Intermediate Similarity NPD5283 Phase 1
0.7211 Intermediate Similarity NPD4308 Phase 3
0.7197 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7185 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7183 Intermediate Similarity NPD9494 Approved
0.7181 Intermediate Similarity NPD1549 Phase 2
0.7179 Intermediate Similarity NPD7411 Suspended
0.7172 Intermediate Similarity NPD4060 Phase 1
0.7164 Intermediate Similarity NPD5951 Approved
0.7162 Intermediate Similarity NPD5405 Approved
0.7162 Intermediate Similarity NPD5406 Approved
0.7162 Intermediate Similarity NPD5404 Approved
0.7162 Intermediate Similarity NPD5408 Approved
0.7134 Intermediate Similarity NPD7177 Discontinued
0.7123 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD3495 Discontinued
0.7114 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD6663 Approved
0.7083 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD7008 Discontinued
0.7083 Intermediate Similarity NPD3534 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD3134 Approved
0.7063 Intermediate Similarity NPD7075 Discontinued
0.7063 Intermediate Similarity NPD5736 Approved
0.7059 Intermediate Similarity NPD6799 Approved
0.7055 Intermediate Similarity NPD3620 Phase 2
0.7055 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD2649 Approved
0.7051 Intermediate Similarity NPD2651 Approved
0.705 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD3295 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD3887 Approved
0.7034 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD3764 Approved
0.7025 Intermediate Similarity NPD6279 Approved
0.7025 Intermediate Similarity NPD1934 Approved
0.7025 Intermediate Similarity NPD6280 Approved
0.7025 Intermediate Similarity NPD6801 Discontinued
0.7021 Intermediate Similarity NPD4359 Approved
0.7021 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD5735 Approved
0.7007 Intermediate Similarity NPD7644 Approved
0.7007 Intermediate Similarity NPD6355 Discontinued
0.7007 Intermediate Similarity NPD3657 Discovery
0.7 Intermediate Similarity NPD2355 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD2353 Approved
0.6993 Remote Similarity NPD7236 Approved
0.6993 Remote Similarity NPD643 Clinical (unspecified phase)
0.6981 Remote Similarity NPD2801 Approved
0.6978 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6977 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6974 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6974 Remote Similarity NPD4110 Phase 3
0.6972 Remote Similarity NPD6696 Suspended
0.6966 Remote Similarity NPD4625 Phase 3
0.6966 Remote Similarity NPD7095 Approved
0.6959 Remote Similarity NPD6353 Approved
0.6959 Remote Similarity NPD4579 Clinical (unspecified phase)
0.6957 Remote Similarity NPD9545 Approved
0.6948 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6948 Remote Similarity NPD1511 Approved
0.6939 Remote Similarity NPD3109 Approved
0.6939 Remote Similarity NPD3110 Approved
0.6937 Remote Similarity NPD3817 Phase 2
0.6933 Remote Similarity NPD8127 Discontinued
0.6928 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6923 Remote Similarity NPD920 Approved
0.6923 Remote Similarity NPD7427 Discontinued
0.6918 Remote Similarity NPD6798 Discontinued
0.6918 Remote Similarity NPD7577 Discontinued
0.6918 Remote Similarity NPD6812 Clinical (unspecified phase)
0.6918 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6918 Remote Similarity NPD411 Approved
0.6917 Remote Similarity NPD5451 Approved
0.6909 Remote Similarity NPD6894 Phase 1
0.6909 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6908 Remote Similarity NPD2654 Approved
0.6903 Remote Similarity NPD642 Clinical (unspecified phase)
0.6901 Remote Similarity NPD4749 Approved
0.6901 Remote Similarity NPD1669 Approved
0.6894 Remote Similarity NPD3882 Suspended
0.6894 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6894 Remote Similarity NPD4947 Clinical (unspecified phase)
0.6894 Remote Similarity NPD7768 Phase 2
0.6892 Remote Similarity NPD4618 Approved
0.6892 Remote Similarity NPD1933 Approved
0.6892 Remote Similarity NPD4622 Approved
0.689 Remote Similarity NPD5711 Approved
0.689 Remote Similarity NPD5710 Approved
0.6889 Remote Similarity NPD5535 Approved
0.6883 Remote Similarity NPD3300 Phase 2
0.6879 Remote Similarity NPD7239 Suspended
0.6879 Remote Similarity NPD6287 Discontinued
0.6867 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6866 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6859 Remote Similarity NPD1512 Approved
0.6859 Remote Similarity NPD5049 Phase 3
0.6853 Remote Similarity NPD8651 Approved

Structure

External Identifiers

PubChem CID   11312990
ChEMBL   CHEMBL494660
ZINC  

Physicochemical Properties

Molecular Weight:  312.21
ALogP:  1.446
MLogP:  3.55
XLogP:  5.752
# Rotatable Bonds:  8
Polar Surface Area:  26.3
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  23

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