Natural Product: NPC133922

Natural Product ID:  NPC133922
Common Name:   (3S,5R,8R,9S,10S,13S,14S)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-7,17-Dione
IUPAC Name:   (3S,5R,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-dione
Synonyms:  
Molecular Formula:   C19H28O3
Standard InCHIKey:  ONVVZSHYQMOXLN-ZVMDJWLLSA-N
Standard InCHI:  InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11-14,17,20H,3-10H2,1-2H3/t11-,12+,13+,14+,17+,18+,19+/m1/s1
Canonical SMILES:  O[C@H]1CC[C@]2([C@H](C1)CC(=O)[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)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
NPO26219 Sorbus coronata Species Rosaceae Eukaryota UNPD*
NPO14334 Picea jezoensis Species Pinaceae Eukaryota UNPD*
NPO10093 Castanopsis hystrix Species Fagaceae Eukaryota UNPD*
NPO14061 Tetraploa aristata Species Tetraplosphaeriaceae Eukaryota UNPD*
NPO12029 Sicana odorifera Species Cucurbitaceae Eukaryota UNPD*
NPO16742.1 Syringa pubescens subsp. patula Subspecies Oleaceae Eukaryota UNPD*
NPO15997 Aglaia cordata Species Meliaceae Eukaryota UNPD*
NPO9541 Suaeda salsa Species Chenopodiaceae Eukaryota UNPD*
NPO22561 Dickeya chrysanthemi Species Pectobacteriaceae Bacteria UNPD*
NPO12291 Rhodococcus ruber Species Nocardiaceae Bacteria UNPD*
NPO15302 Acronychia acidula Species Rutaceae Eukaryota UNPD*
NPO9204 Streptomyces argillaceus Species Streptomycetaceae Bacteria UNPD*
NPO2740 Pteris plumbea Species Pteridaceae Eukaryota UNPD*
NPO11598 Callitris macleayana Species Cupressaceae Eukaryota UNPD*
NPO13232 Gaillardia tontalensis Species Asteraceae Eukaryota UNPD*
NPO13749 Luvunga scandens Species Rutaceae Eukaryota UNPD*
NPO15723 Bupleurum aureum Species Apiaceae Eukaryota UNPD*
NPO11261 Euclea natalensis Species Ebenaceae Eukaryota UNPD*
NPO1836 Eupatorium recurvans Species Asteraceae Eukaryota UNPD*
NPO15813 Spiraea formosa Species Rosaceae Eukaryota UNPD*
NPO13028 Trichoscypha acuminata Species Anacardiaceae Eukaryota UNPD*
NPO13481 Laurencia claviformis Species Rhodomelaceae Eukaryota UNPD*
NPO14205 Uraria picta Species Fabaceae Eukaryota UNPD*
NPO12505 Stigmodera macularia Species Buprestidae Eukaryota UNPD*
NPO5208 Ligusticum lucidum Species Apiaceae Eukaryota UNPD*
NPO14624 Pertusaria pseudocorallina Species Pertusariaceae Eukaryota UNPD*
NPO15410 Erlangea cordifolia Species Asteraceae Eukaryota UNPD*
NPO14873 Pityrodia ternifolia Species Lamiaceae Eukaryota UNPD*
NPO12805 Othonna intermedia Species Asteraceae Eukaryota UNPD*
NPO23600 Bridelia moonii Species Phyllanthaceae Eukaryota UNPD*
NPO25076 Salicornia herbacea Species Chenopodiaceae Eukaryota UNPD*
NPO11796 Morus australis Species Moraceae Eukaryota UNPD*
NPO7047 Psiadia arabica Species Asteraceae Eukaryota UNPD*
NPO13356 Thalictrum fauriei Species Ranunculaceae Eukaryota UNPD*
NPO15903 Goupia tomentosa Species Goupiaceae Eukaryota UNPD*
NPO15092 Alternaria infectoria Species Pleosporaceae Eukaryota UNPD*
NPO13895 Sessibugula translucens NA NA NA UNPD*
NPO7859 Euonymus atropurpurea Species Celastraceae Eukaryota UNPD*
NPO6038 Acanthamoeba culbertsoni Species Acanthamoebidae Eukaryota UNPD*
NPO15628 Strychnos panamensis Species Loganiaceae Eukaryota UNPD*
NPO14893 Streptomyces eurocidicus Species Streptomycetaceae Bacteria UNPD*
NPO9145 Herbertus aduncus Species Herbertaceae Eukaryota UNPD*
NPO1159 Artemisia laciniata Species Asteraceae Eukaryota UNPD*
NPO14467 Senecio taiwanensis Species Asteraceae Eukaryota UNPD*
NPO4299 Michelia longifolia Species Magnoliaceae Eukaryota UNPD*
NPO27213 Nephrolepis biserrata Species Lomariopsidaceae Eukaryota UNPD*
NPO8604 Helichrysum zeyheri Species Asteraceae Eukaryota UNPD*
NPO10595 Othonna cylindrica Species Asteraceae Eukaryota UNPD*
NPO15398 Rhizopus stolonifer Species Rhizopodaceae Eukaryota UNPD*
NPO14746 Uroblaniulus canadensis Species Parajulidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 5623.4 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 > 67514 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 33758 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 50118.7 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 NPC133922 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
0.9412 High Similarity NPC131892
0.9412 High Similarity NPC327728
0.9412 High Similarity NPC213178
0.9412 High Similarity NPC6120
0.9296 High Similarity NPC159789
0.9167 High Similarity NPC472487
0.9167 High Similarity NPC472486
0.9143 High Similarity NPC89310
0.9143 High Similarity NPC320549
0.9143 High Similarity NPC151018
0.9143 High Similarity NPC58057
0.9143 High Similarity NPC156277
0.9041 High Similarity NPC221420
0.9028 High Similarity NPC125767
0.9028 High Similarity NPC21220
0.9014 High Similarity NPC232112
0.8919 High Similarity NPC185465
0.8904 High Similarity NPC5767
0.8904 High Similarity NPC475742
0.8889 High Similarity NPC254340
0.8857 High Similarity NPC324607
0.8857 High Similarity NPC321732
0.88 High Similarity NPC320144
0.8767 High Similarity NPC273366
0.8767 High Similarity NPC472311
0.8767 High Similarity NPC97534
0.8767 High Similarity NPC195155
0.8767 High Similarity NPC174964
0.8701 High Similarity NPC30583
0.863 High Similarity NPC280026
0.863 High Similarity NPC167702
0.8571 High Similarity NPC472984
0.8553 High Similarity NPC472310
0.8533 High Similarity NPC475031
0.8533 High Similarity NPC23884
0.8514 High Similarity NPC212733
0.8493 Intermediate Similarity NPC310766
0.8462 Intermediate Similarity NPC328007
0.8462 Intermediate Similarity NPC317066
0.8442 Intermediate Similarity NPC477851
0.84 Intermediate Similarity NPC4209
0.8356 Intermediate Similarity NPC126642
0.8356 Intermediate Similarity NPC473267
0.8354 Intermediate Similarity NPC327451
0.8289 Intermediate Similarity NPC317913
0.8289 Intermediate Similarity NPC143133
0.8289 Intermediate Similarity NPC298168
0.8289 Intermediate Similarity NPC207010
0.825 Intermediate Similarity NPC50438
0.8243 Intermediate Similarity NPC477229
0.8243 Intermediate Similarity NPC68426
0.8243 Intermediate Similarity NPC282905
0.8228 Intermediate Similarity NPC61107
0.8228 Intermediate Similarity NPC289486
0.8228 Intermediate Similarity NPC268040
0.8219 Intermediate Similarity NPC476731
0.8205 Intermediate Similarity NPC164999
0.8205 Intermediate Similarity NPC470609
0.8194 Intermediate Similarity NPC474954
0.8182 Intermediate Similarity NPC171426
0.8182 Intermediate Similarity NPC80089
0.8182 Intermediate Similarity NPC34046
0.8182 Intermediate Similarity NPC224802
0.8182 Intermediate Similarity NPC324700
0.8133 Intermediate Similarity NPC168511
0.8133 Intermediate Similarity NPC472854
0.8133 Intermediate Similarity NPC130011
0.8133 Intermediate Similarity NPC159325
0.8108 Intermediate Similarity NPC290058
0.8108 Intermediate Similarity NPC472309
0.8101 Intermediate Similarity NPC469745
0.8095 Intermediate Similarity NPC476296
0.8082 Intermediate Similarity NPC319671
0.8082 Intermediate Similarity NPC469941
0.8082 Intermediate Similarity NPC252032
0.8082 Intermediate Similarity NPC476734
0.8077 Intermediate Similarity NPC201276
0.8077 Intermediate Similarity NPC80891
0.8072 Intermediate Similarity NPC90676
0.8052 Intermediate Similarity NPC264602
0.8049 Intermediate Similarity NPC476727
0.8049 Intermediate Similarity NPC80700
0.8049 Intermediate Similarity NPC476726
0.8026 Intermediate Similarity NPC267753
0.8025 Intermediate Similarity NPC146683
0.8 Intermediate Similarity NPC114891
0.8 Intermediate Similarity NPC81759
0.7973 Intermediate Similarity NPC477850
0.7973 Intermediate Similarity NPC477929
0.7952 Intermediate Similarity NPC263802
0.7952 Intermediate Similarity NPC4643
0.7952 Intermediate Similarity NPC57469
0.7949 Intermediate Similarity NPC329117
0.7945 Intermediate Similarity NPC473225
0.7945 Intermediate Similarity NPC180777
0.7945 Intermediate Similarity NPC2568
0.7945 Intermediate Similarity NPC470956
0.7945 Intermediate Similarity NPC260319
0.7945 Intermediate Similarity NPC103647
0.7927 Intermediate Similarity NPC62572
0.7922 Intermediate Similarity NPC108840
0.7901 Intermediate Similarity NPC475726
0.7901 Intermediate Similarity NPC118800
0.7901 Intermediate Similarity NPC472743
0.7887 Intermediate Similarity NPC167995
0.7887 Intermediate Similarity NPC159654
0.7887 Intermediate Similarity NPC118937
0.7887 Intermediate Similarity NPC281540
0.7875 Intermediate Similarity NPC58631
0.7875 Intermediate Similarity NPC12933
0.7857 Intermediate Similarity NPC148174
0.7857 Intermediate Similarity NPC71460
0.7857 Intermediate Similarity NPC218585
0.7838 Intermediate Similarity NPC196197
0.7838 Intermediate Similarity NPC64466
0.7831 Intermediate Similarity NPC120395
0.7831 Intermediate Similarity NPC248216
0.7831 Intermediate Similarity NPC472272
0.7831 Intermediate Similarity NPC302111
0.7821 Intermediate Similarity NPC472746
0.7805 Intermediate Similarity NPC471044
0.7805 Intermediate Similarity NPC473336
0.7805 Intermediate Similarity NPC474482
0.7805 Intermediate Similarity NPC474233
0.7805 Intermediate Similarity NPC474996
0.7805 Intermediate Similarity NPC475745
0.7792 Intermediate Similarity NPC24014
0.7792 Intermediate Similarity NPC27349
0.7778 Intermediate Similarity NPC121121
0.7778 Intermediate Similarity NPC469791
0.7765 Intermediate Similarity NPC61688
0.775 Intermediate Similarity NPC261616
0.7738 Intermediate Similarity NPC472495
0.7738 Intermediate Similarity NPC472497
0.7738 Intermediate Similarity NPC174619
0.7738 Intermediate Similarity NPC153604
0.7733 Intermediate Similarity NPC108131
0.7727 Intermediate Similarity NPC266431
0.7722 Intermediate Similarity NPC26029
0.7711 Intermediate Similarity NPC76518
0.7711 Intermediate Similarity NPC292553
0.7692 Intermediate Similarity NPC471046
0.7683 Intermediate Similarity NPC471036
0.7683 Intermediate Similarity NPC291320
0.7683 Intermediate Similarity NPC472498
0.7671 Intermediate Similarity NPC142712
0.7671 Intermediate Similarity NPC44122
0.7671 Intermediate Similarity NPC42060
0.7671 Intermediate Similarity NPC477931
0.7671 Intermediate Similarity NPC268736
0.7662 Intermediate Similarity NPC477930
0.7654 Intermediate Similarity NPC50658
0.7654 Intermediate Similarity NPC476071
0.7647 Intermediate Similarity NPC328539
0.7647 Intermediate Similarity NPC236459
0.7639 Intermediate Similarity NPC69149
0.7632 Intermediate Similarity NPC469940
0.7625 Intermediate Similarity NPC31302
0.7625 Intermediate Similarity NPC245029
0.7625 Intermediate Similarity NPC52951
0.7625 Intermediate Similarity NPC201459
0.7619 Intermediate Similarity NPC472738
0.76 Intermediate Similarity NPC474962
0.7595 Intermediate Similarity NPC106078
0.7595 Intermediate Similarity NPC477918
0.7595 Intermediate Similarity NPC474404
0.7595 Intermediate Similarity NPC477919
0.7595 Intermediate Similarity NPC180199
0.759 Intermediate Similarity NPC319909
0.759 Intermediate Similarity NPC74595
0.759 Intermediate Similarity NPC237938
0.759 Intermediate Similarity NPC219535
0.759 Intermediate Similarity NPC264665
0.759 Intermediate Similarity NPC105895
0.7586 Intermediate Similarity NPC52756
0.7568 Intermediate Similarity NPC478180
0.7568 Intermediate Similarity NPC474221
0.7568 Intermediate Similarity NPC48079
0.7568 Intermediate Similarity NPC475884
0.7568 Intermediate Similarity NPC130459
0.7568 Intermediate Similarity NPC473230
0.7564 Intermediate Similarity NPC179858
0.7564 Intermediate Similarity NPC132064
0.7561 Intermediate Similarity NPC477858
0.7561 Intermediate Similarity NPC110780
0.7561 Intermediate Similarity NPC151519
0.7561 Intermediate Similarity NPC145143
0.7558 Intermediate Similarity NPC56962
0.7558 Intermediate Similarity NPC24705
0.7534 Intermediate Similarity NPC474380
0.7534 Intermediate Similarity NPC473276
0.7534 Intermediate Similarity NPC41577
0.7532 Intermediate Similarity NPC474123
0.7529 Intermediate Similarity NPC202937
0.7529 Intermediate Similarity NPC259009
0.75 Intermediate Similarity NPC161035
0.75 Intermediate Similarity NPC264317
0.75 Intermediate Similarity NPC473350
0.75 Intermediate Similarity NPC224060
0.75 Intermediate Similarity NPC478128

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC133922 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
0.9412 High Similarity NPD3700 Clinical (unspecified phase)
0.9412 High Similarity NPD3699 Clinical (unspecified phase)
0.9296 High Similarity NPD3703 Phase 2
0.9143 High Similarity NPD4809 Clinical (unspecified phase)
0.9143 High Similarity NPD4808 Clinical (unspecified phase)
0.8857 High Similarity NPD3698 Phase 2
0.8732 High Similarity NPD4244 Approved
0.8732 High Similarity NPD4245 Approved
0.863 High Similarity NPD6113 Clinical (unspecified phase)
0.8551 High Similarity NPD3171 Clinical (unspecified phase)
0.8472 Intermediate Similarity NPD4789 Approved
0.8451 Intermediate Similarity NPD5360 Phase 3
0.8451 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.8421 Intermediate Similarity NPD3671 Phase 1
0.84 Intermediate Similarity NPD6117 Approved
0.8289 Intermediate Similarity NPD6116 Phase 1
0.8182 Intermediate Similarity NPD6114 Approved
0.8182 Intermediate Similarity NPD6115 Approved
0.8182 Intermediate Similarity NPD6118 Approved
0.8182 Intermediate Similarity NPD6697 Approved
0.8108 Intermediate Similarity NPD4758 Discontinued
0.8108 Intermediate Similarity NPD6081 Approved
0.7917 Intermediate Similarity NPD4224 Phase 2
0.7632 Intermediate Similarity NPD5777 Approved
0.7564 Intermediate Similarity NPD3702 Approved
0.7561 Intermediate Similarity NPD3667 Approved
0.7558 Intermediate Similarity NPD5328 Approved
0.75 Intermediate Similarity NPD5364 Discontinued
0.75 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7412 Intermediate Similarity NPD3618 Phase 1
0.7386 Intermediate Similarity NPD6079 Approved
0.7381 Intermediate Similarity NPD4786 Approved
0.7368 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4787 Phase 1
0.7262 Intermediate Similarity NPD4788 Approved
0.7176 Intermediate Similarity NPD3665 Phase 1
0.7176 Intermediate Similarity NPD3666 Approved
0.7176 Intermediate Similarity NPD3133 Approved
0.7065 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD5222 Approved
0.7065 Intermediate Similarity NPD5221 Approved
0.7065 Intermediate Similarity NPD4697 Phase 3
0.6989 Remote Similarity NPD4755 Approved
0.6989 Remote Similarity NPD5173 Approved
0.6923 Remote Similarity NPD4202 Approved
0.6867 Remote Similarity NPD3617 Approved
0.6842 Remote Similarity NPD5285 Approved
0.6842 Remote Similarity NPD5286 Approved
0.6842 Remote Similarity NPD4696 Approved
0.6842 Remote Similarity NPD4700 Approved
0.6813 Remote Similarity NPD8034 Phase 2
0.6813 Remote Similarity NPD8035 Phase 2
0.6782 Remote Similarity NPD3668 Phase 3
0.6771 Remote Similarity NPD5223 Approved
0.6735 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6701 Remote Similarity NPD5226 Approved
0.6701 Remote Similarity NPD4633 Approved
0.6701 Remote Similarity NPD5211 Phase 2
0.6701 Remote Similarity NPD5225 Approved
0.6701 Remote Similarity NPD5224 Approved
0.6667 Remote Similarity NPD6920 Discontinued
0.6633 Remote Similarity NPD5174 Approved
0.6633 Remote Similarity NPD5175 Approved
0.6633 Remote Similarity NPD4754 Approved
0.663 Remote Similarity NPD7515 Phase 2
0.6629 Remote Similarity NPD5279 Phase 3
0.6622 Remote Similarity NPD3198 Approved
0.6596 Remote Similarity NPD4629 Approved
0.6596 Remote Similarity NPD5210 Approved
0.6593 Remote Similarity NPD4753 Phase 2
0.6566 Remote Similarity NPD5141 Approved
0.6559 Remote Similarity NPD6399 Phase 3
0.6552 Remote Similarity NPD4221 Approved
0.6552 Remote Similarity NPD4223 Phase 3
0.6512 Remote Similarity NPD7525 Registered
0.6512 Remote Similarity NPD6928 Phase 2
0.65 Remote Similarity NPD5739 Approved
0.65 Remote Similarity NPD4768 Approved
0.65 Remote Similarity NPD6402 Approved
0.65 Remote Similarity NPD7128 Approved
0.65 Remote Similarity NPD6675 Approved
0.65 Remote Similarity NPD4767 Approved
0.6495 Remote Similarity NPD8418 Phase 2
0.6444 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6437 Remote Similarity NPD4692 Approved
0.6437 Remote Similarity NPD4139 Approved
0.6436 Remote Similarity NPD5697 Approved
0.6436 Remote Similarity NPD5701 Approved
0.6429 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6404 Remote Similarity NPD4197 Approved
0.6373 Remote Similarity NPD6899 Approved
0.6373 Remote Similarity NPD7320 Approved
0.6373 Remote Similarity NPD5168 Approved
0.6373 Remote Similarity NPD6011 Approved
0.6373 Remote Similarity NPD6881 Approved
0.6373 Remote Similarity NPD5128 Approved
0.6373 Remote Similarity NPD4730 Approved
0.6373 Remote Similarity NPD4729 Approved
0.6333 Remote Similarity NPD5329 Approved
0.6316 Remote Similarity NPD7748 Approved
0.6311 Remote Similarity NPD6372 Approved
0.6311 Remote Similarity NPD6012 Approved
0.6311 Remote Similarity NPD6373 Approved
0.6311 Remote Similarity NPD6013 Approved
0.6311 Remote Similarity NPD6014 Approved
0.631 Remote Similarity NPD7339 Approved
0.631 Remote Similarity NPD6942 Approved
0.6304 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6264 Remote Similarity NPD4138 Approved
0.6264 Remote Similarity NPD4690 Approved
0.6264 Remote Similarity NPD5205 Approved
0.6264 Remote Similarity NPD7146 Approved
0.6264 Remote Similarity NPD5330 Approved
0.6264 Remote Similarity NPD7521 Approved
0.6264 Remote Similarity NPD4689 Approved
0.6264 Remote Similarity NPD4693 Phase 3
0.6264 Remote Similarity NPD7334 Approved
0.6264 Remote Similarity NPD6684 Approved
0.6264 Remote Similarity NPD6409 Approved
0.6264 Remote Similarity NPD4688 Approved
0.625 Remote Similarity NPD7102 Approved
0.625 Remote Similarity NPD5250 Approved
0.625 Remote Similarity NPD7290 Approved
0.625 Remote Similarity NPD4634 Approved
0.625 Remote Similarity NPD6883 Approved
0.625 Remote Similarity NPD5248 Approved
0.625 Remote Similarity NPD5169 Approved
0.625 Remote Similarity NPD5249 Phase 3
0.625 Remote Similarity NPD5135 Approved
0.625 Remote Similarity NPD5247 Approved
0.625 Remote Similarity NPD5251 Approved
0.625 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6224 Remote Similarity NPD5696 Approved
0.6224 Remote Similarity NPD7638 Approved
0.6214 Remote Similarity NPD6415 Discontinued
0.619 Remote Similarity NPD6650 Approved
0.619 Remote Similarity NPD6847 Approved
0.619 Remote Similarity NPD5127 Approved
0.619 Remote Similarity NPD8130 Phase 1
0.619 Remote Similarity NPD5217 Approved
0.619 Remote Similarity NPD6869 Approved
0.619 Remote Similarity NPD6617 Approved
0.619 Remote Similarity NPD5216 Approved
0.619 Remote Similarity NPD6401 Clinical (unspecified phase)
0.619 Remote Similarity NPD6649 Approved
0.619 Remote Similarity NPD5215 Approved
0.6173 Remote Similarity NPD6705 Phase 1
0.6164 Remote Similarity NPD615 Clinical (unspecified phase)
0.6164 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6162 Remote Similarity NPD7639 Approved
0.6162 Remote Similarity NPD7640 Approved
0.6136 Remote Similarity NPD4748 Discontinued
0.6132 Remote Similarity NPD6882 Approved
0.6132 Remote Similarity NPD8297 Approved
0.6129 Remote Similarity NPD6903 Approved
0.6122 Remote Similarity NPD6084 Phase 2
0.6122 Remote Similarity NPD6083 Phase 2
0.6122 Remote Similarity NPD7902 Approved
0.6087 Remote Similarity NPD5280 Approved
0.6087 Remote Similarity NPD384 Approved
0.6087 Remote Similarity NPD4694 Approved
0.6087 Remote Similarity NPD5690 Phase 2
0.6087 Remote Similarity NPD385 Approved
0.6076 Remote Similarity NPD7909 Approved
0.6075 Remote Similarity NPD4632 Approved
0.604 Remote Similarity NPD7632 Discontinued
0.6023 Remote Similarity NPD7645 Phase 2
0.6019 Remote Similarity NPD5167 Approved
0.5963 Remote Similarity NPD6274 Approved
0.5963 Remote Similarity NPD6868 Approved
0.5957 Remote Similarity NPD5737 Approved
0.5957 Remote Similarity NPD6672 Approved
0.5955 Remote Similarity NPD4695 Discontinued
0.5926 Remote Similarity NPD8298 Phase 2
0.5918 Remote Similarity NPD5695 Phase 3
0.5914 Remote Similarity NPD4519 Discontinued
0.5914 Remote Similarity NPD4623 Approved
0.5909 Remote Similarity NPD6009 Approved
0.5909 Remote Similarity NPD6317 Approved
0.5909 Remote Similarity NPD4776 Phase 2
0.5909 Remote Similarity NPD4777 Suspended
0.5905 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5904 Remote Similarity NPD4137 Phase 3
0.5865 Remote Similarity NPD6008 Approved
0.5859 Remote Similarity NPD7614 Phase 1
0.5856 Remote Similarity NPD6314 Approved
0.5856 Remote Similarity NPD6313 Approved
0.5856 Remote Similarity NPD6335 Approved
0.5851 Remote Similarity NPD3573 Approved
0.5843 Remote Similarity NPD4195 Approved
0.5833 Remote Similarity NPD6701 Clinical (unspecified phase)
0.5833 Remote Similarity NPD4747 Approved
0.5833 Remote Similarity NPD6700 Approved
0.5833 Remote Similarity NPD4691 Approved
0.5816 Remote Similarity NPD7900 Approved
0.5816 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5814 Remote Similarity NPD6926 Approved
0.5814 Remote Similarity NPD6924 Approved
0.581 Remote Similarity NPD6412 Phase 2
0.5804 Remote Similarity NPD7101 Approved

Structure

External Identifiers

PubChem CID   11954160
ChEMBL   CHEMBL3391757
ZINC  

Physicochemical Properties

Molecular Weight:  304.20
ALogP:  -0.3401
MLogP:  3.22
XLogP:  2.013
# Rotatable Bonds:  3
Polar Surface Area:  54.37
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  22

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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