Natural Product: NPC51681

Natural Product ID:  NPC51681
Common Name:   Piperenone
IUPAC Name:   (2S,3R,3aS,7aR)-2-(3,4-dimethoxyphenyl)-3a,7a-dimethoxy-3-methyl-5-prop-2-enyl-3,7-dihydro-2H-1-benzofuran-6-one
Synonyms:  
Molecular Formula:   C22H28O6
Standard InCHIKey:  IYGFCSHMPLAHTK-WBBCYVCWSA-N
Standard InCHI:  InChI=1S/C22H28O6/c1-7-8-16-12-21(26-5)14(2)20(28-22(21,27-6)13-17(16)23)15-9-10-18(24-3)19(11-15)25-4/h7,9-12,14,20H,1,8,13H2,2-6H3/t14-,20+,21+,22-/m1/s1
Canonical SMILES:  C=CCC1=C[C@]2(OC)[C@H](C)[C@H](O[C@@]2(CC1=O)OC)c1ccc(c(c1)OC)OC
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
NPO19174 Anoplophora chinensis Species Cerambycidae Eukaryota UNPD*
NPO313 Castilleja sulphurea Species Orobanchaceae Eukaryota UNPD*
NPO6666 Eremanthus incanus Species Asteraceae Eukaryota UNPD*
NPO9925 Rhododendron latoucheae Species Ericaceae Eukaryota UNPD*
NPO5700 Mortonia hidalgensis Species Celastraceae Eukaryota UNPD*
NPO9571 Pseudobrickellia brasiliensis Species Asteraceae Eukaryota UNPD*
NPO4682 Lindera aggregata Species Lauraceae Eukaryota UNPD*
NPO9301 Dioscorea sativa Species Dioscoreaceae Eukaryota UNPD*
NPO1155 Forsythia japonica Species Oleaceae Eukaryota UNPD*
NPO9480 Huperzia miyoshiana Species Lycopodiaceae Eukaryota UNPD*
NPO7522 Streptomyces amakusaensis Species Streptomycetaceae Bacteria UNPD*
NPO2894 Mycena viridimarginata Species Tricholomataceae Eukaryota UNPD*
NPO6475 Gymnosporia trigyna Species Celastraceae Eukaryota UNPD*
NPO4865 Piper kadsura Species Piperaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1372 Individual Protein Platelet activating factor receptor Cavia porcellus Inhibition = 25 % 3027330

  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 NPC51681 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
0.9779 High Similarity NPC15743
0.9338 High Similarity NPC166184
0.9248 High Similarity NPC339621
0.9248 High Similarity NPC233961
0.9248 High Similarity NPC280399
0.9021 High Similarity NPC24257
0.9021 High Similarity NPC153620
0.8978 High Similarity NPC145769
0.8978 High Similarity NPC37065
0.8966 High Similarity NPC12854
0.8912 High Similarity NPC308555
0.8889 High Similarity NPC25496
0.8881 High Similarity NPC64948
0.8819 High Similarity NPC30890
0.8803 High Similarity NPC46180
0.8794 High Similarity NPC278076
0.8792 High Similarity NPC254163
0.8786 High Similarity NPC14022
0.8725 High Similarity NPC476364
0.8707 High Similarity NPC475170
0.8618 High Similarity NPC76211
0.8611 High Similarity NPC474966
0.8582 High Similarity NPC209229
0.8562 High Similarity NPC476337
0.8552 High Similarity NPC475000
0.8552 High Similarity NPC474036
0.8552 High Similarity NPC50696
0.8542 High Similarity NPC210354
0.8542 High Similarity NPC104956
0.8542 High Similarity NPC176586
0.8523 High Similarity NPC62354
0.8514 High Similarity NPC472567
0.8511 High Similarity NPC211386
0.8507 High Similarity NPC256167
0.8503 High Similarity NPC476336
0.8503 High Similarity NPC476338
0.8503 High Similarity NPC476359
0.85 High Similarity NPC205915
0.85 High Similarity NPC327410
0.8493 Intermediate Similarity NPC474158
0.8493 Intermediate Similarity NPC223185
0.8467 Intermediate Similarity NPC223807
0.8467 Intermediate Similarity NPC151425
0.8467 Intermediate Similarity NPC56184
0.8451 Intermediate Similarity NPC102260
0.8451 Intermediate Similarity NPC230968
0.8446 Intermediate Similarity NPC473428
0.8442 Intermediate Similarity NPC218471
0.8442 Intermediate Similarity NPC239818
0.8435 Intermediate Similarity NPC472560
0.8435 Intermediate Similarity NPC3982
0.8435 Intermediate Similarity NPC193779
0.8435 Intermediate Similarity NPC213482
0.8425 Intermediate Similarity NPC191158
0.8425 Intermediate Similarity NPC177644
0.8421 Intermediate Similarity NPC476363
0.8417 Intermediate Similarity NPC477694
0.8417 Intermediate Similarity NPC477705
0.8414 Intermediate Similarity NPC40237
0.8414 Intermediate Similarity NPC151423
0.8411 Intermediate Similarity NPC327225
0.8408 Intermediate Similarity NPC476277
0.8406 Intermediate Similarity NPC57119
0.8406 Intermediate Similarity NPC158471
0.8406 Intermediate Similarity NPC165128
0.8406 Intermediate Similarity NPC226862
0.8403 Intermediate Similarity NPC147379
0.8403 Intermediate Similarity NPC322021
0.8403 Intermediate Similarity NPC470855
0.84 Intermediate Similarity NPC163002
0.8389 Intermediate Similarity NPC477698
0.838 Intermediate Similarity NPC174191
0.838 Intermediate Similarity NPC44245
0.838 Intermediate Similarity NPC72796
0.8357 Intermediate Similarity NPC477706
0.8357 Intermediate Similarity NPC82111
0.8357 Intermediate Similarity NPC227160
0.8357 Intermediate Similarity NPC469480
0.8356 Intermediate Similarity NPC474288
0.8356 Intermediate Similarity NPC472564
0.8355 Intermediate Similarity NPC348849
0.8355 Intermediate Similarity NPC25127
0.8355 Intermediate Similarity NPC478213
0.8355 Intermediate Similarity NPC178195
0.8345 Intermediate Similarity NPC100675
0.8344 Intermediate Similarity NPC476335
0.8333 Intermediate Similarity NPC229882
0.8333 Intermediate Similarity NPC177830
0.8333 Intermediate Similarity NPC478199
0.8333 Intermediate Similarity NPC158635
0.8333 Intermediate Similarity NPC233780
0.8322 Intermediate Similarity NPC40654
0.8322 Intermediate Similarity NPC262804
0.8321 Intermediate Similarity NPC85830
0.8312 Intermediate Similarity NPC475663
0.8312 Intermediate Similarity NPC258644
0.8312 Intermediate Similarity NPC286919
0.8311 Intermediate Similarity NPC224687
0.8311 Intermediate Similarity NPC296575
0.831 Intermediate Similarity NPC110958
0.831 Intermediate Similarity NPC19890
0.8301 Intermediate Similarity NPC186316
0.8299 Intermediate Similarity NPC218841
0.8299 Intermediate Similarity NPC92693
0.8298 Intermediate Similarity NPC7744
0.8296 Intermediate Similarity NPC65933
0.8296 Intermediate Similarity NPC172676
0.8296 Intermediate Similarity NPC57268
0.8296 Intermediate Similarity NPC216929
0.8296 Intermediate Similarity NPC312713
0.8296 Intermediate Similarity NPC126935
0.8289 Intermediate Similarity NPC68882
0.8289 Intermediate Similarity NPC153008
0.8289 Intermediate Similarity NPC148497
0.8288 Intermediate Similarity NPC253481
0.8288 Intermediate Similarity NPC253722
0.8288 Intermediate Similarity NPC31751
0.8286 Intermediate Similarity NPC142985
0.8286 Intermediate Similarity NPC233224
0.8286 Intermediate Similarity NPC271208
0.8278 Intermediate Similarity NPC164082
0.8269 Intermediate Similarity NPC34376
0.8267 Intermediate Similarity NPC478242
0.8258 Intermediate Similarity NPC469384
0.8258 Intermediate Similarity NPC325122
0.8255 Intermediate Similarity NPC221383
0.8255 Intermediate Similarity NPC299090
0.8255 Intermediate Similarity NPC143892
0.8255 Intermediate Similarity NPC30720
0.8255 Intermediate Similarity NPC283081
0.8252 Intermediate Similarity NPC470990
0.8248 Intermediate Similarity NPC18449
0.8248 Intermediate Similarity NPC34902
0.8248 Intermediate Similarity NPC121783
0.8247 Intermediate Similarity NPC478055
0.8247 Intermediate Similarity NPC155063
0.8247 Intermediate Similarity NPC477380
0.8247 Intermediate Similarity NPC301897
0.8243 Intermediate Similarity NPC327052
0.8239 Intermediate Similarity NPC1474
0.8239 Intermediate Similarity NPC42230
0.8239 Intermediate Similarity NPC136750
0.8239 Intermediate Similarity NPC474948
0.8239 Intermediate Similarity NPC266848
0.8235 Intermediate Similarity NPC57211
0.8235 Intermediate Similarity NPC287504
0.8235 Intermediate Similarity NPC136757
0.8231 Intermediate Similarity NPC86455
0.8231 Intermediate Similarity NPC137920
0.8231 Intermediate Similarity NPC125134
0.8228 Intermediate Similarity NPC474301
0.8228 Intermediate Similarity NPC475738
0.8228 Intermediate Similarity NPC180586
0.8224 Intermediate Similarity NPC220577
0.8224 Intermediate Similarity NPC279061
0.8224 Intermediate Similarity NPC476434
0.8224 Intermediate Similarity NPC477699
0.8219 Intermediate Similarity NPC28398
0.8212 Intermediate Similarity NPC227980
0.8207 Intermediate Similarity NPC178290
0.8201 Intermediate Similarity NPC286683
0.82 Intermediate Similarity NPC1580
0.8194 Intermediate Similarity NPC220462
0.8194 Intermediate Similarity NPC477885
0.8194 Intermediate Similarity NPC310206
0.8194 Intermediate Similarity NPC476340
0.8194 Intermediate Similarity NPC160425
0.8194 Intermediate Similarity NPC40920
0.8194 Intermediate Similarity NPC90431
0.8194 Intermediate Similarity NPC223335
0.8194 Intermediate Similarity NPC143895
0.8188 Intermediate Similarity NPC476362
0.8182 Intermediate Similarity NPC267242
0.8182 Intermediate Similarity NPC478238
0.8182 Intermediate Similarity NPC38699
0.8182 Intermediate Similarity NPC188962
0.8182 Intermediate Similarity NPC311339
0.8182 Intermediate Similarity NPC202249
0.8182 Intermediate Similarity NPC42871
0.8176 Intermediate Similarity NPC27159
0.8176 Intermediate Similarity NPC239608
0.8176 Intermediate Similarity NPC46161
0.8176 Intermediate Similarity NPC304956
0.8176 Intermediate Similarity NPC46880
0.8175 Intermediate Similarity NPC244876
0.817 Intermediate Similarity NPC299706
0.817 Intermediate Similarity NPC115466
0.817 Intermediate Similarity NPC52623
0.817 Intermediate Similarity NPC245615
0.817 Intermediate Similarity NPC44730
0.817 Intermediate Similarity NPC61604
0.8169 Intermediate Similarity NPC171928
0.8169 Intermediate Similarity NPC65183
0.8169 Intermediate Similarity NPC16830
0.8169 Intermediate Similarity NPC100223
0.8169 Intermediate Similarity NPC158526
0.8169 Intermediate Similarity NPC33611
0.8169 Intermediate Similarity NPC261812
0.8169 Intermediate Similarity NPC72046
0.8169 Intermediate Similarity NPC129687

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC51681 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
0.8162 Intermediate Similarity NPD3705 Approved
0.8089 Intermediate Similarity NPD5494 Approved
0.8079 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7935 Intermediate Similarity NPD37 Approved
0.7901 Intermediate Similarity NPD3818 Discontinued
0.7898 Intermediate Similarity NPD4966 Approved
0.7898 Intermediate Similarity NPD4967 Phase 2
0.7898 Intermediate Similarity NPD4965 Approved
0.7806 Intermediate Similarity NPD7028 Phase 2
0.7799 Intermediate Similarity NPD6234 Discontinued
0.7794 Intermediate Similarity NPD5536 Phase 2
0.7738 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7673 Intermediate Similarity NPD3882 Suspended
0.763 Intermediate Similarity NPD5283 Phase 1
0.7595 Intermediate Similarity NPD1934 Approved
0.7566 Intermediate Similarity NPD4110 Phase 3
0.7566 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7685 Pre-registration
0.75 Intermediate Similarity NPD1933 Approved
0.75 Intermediate Similarity NPD1241 Discontinued
0.75 Intermediate Similarity NPD3817 Phase 2
0.75 Intermediate Similarity NPD3926 Phase 2
0.7485 Intermediate Similarity NPD7199 Phase 2
0.7485 Intermediate Similarity NPD7074 Phase 3
0.7485 Intermediate Similarity NPD1247 Approved
0.747 Intermediate Similarity NPD7228 Approved
0.7469 Intermediate Similarity NPD919 Approved
0.7438 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD2801 Approved
0.7425 Intermediate Similarity NPD7054 Approved
0.7421 Intermediate Similarity NPD6386 Approved
0.7421 Intermediate Similarity NPD6385 Approved
0.7417 Intermediate Similarity NPD2796 Approved
0.7413 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7399 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD5353 Approved
0.7383 Intermediate Similarity NPD447 Suspended
0.7381 Intermediate Similarity NPD7472 Approved
0.7379 Intermediate Similarity NPD2798 Approved
0.7378 Intermediate Similarity NPD8127 Discontinued
0.7365 Intermediate Similarity NPD3751 Discontinued
0.7347 Intermediate Similarity NPD3027 Phase 3
0.7338 Intermediate Similarity NPD4628 Phase 3
0.7305 Intermediate Similarity NPD7473 Discontinued
0.7305 Intermediate Similarity NPD1357 Approved
0.7303 Intermediate Similarity NPD2438 Suspended
0.7301 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD7240 Approved
0.7294 Intermediate Similarity NPD6559 Discontinued
0.729 Intermediate Similarity NPD6190 Approved
0.7289 Intermediate Similarity NPD5242 Approved
0.7267 Intermediate Similarity NPD6355 Discontinued
0.7255 Intermediate Similarity NPD7266 Discontinued
0.7255 Intermediate Similarity NPD1375 Discontinued
0.7254 Intermediate Similarity NPD17 Approved
0.7251 Intermediate Similarity NPD7808 Phase 3
0.7251 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD6166 Phase 2
0.7246 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD1876 Approved
0.7239 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD2799 Discontinued
0.7235 Intermediate Similarity NPD6797 Phase 2
0.7229 Intermediate Similarity NPD6232 Discontinued
0.7229 Intermediate Similarity NPD3787 Discontinued
0.7226 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD9494 Approved
0.72 Intermediate Similarity NPD2979 Phase 3
0.7197 Intermediate Similarity NPD6799 Approved
0.7193 Intermediate Similarity NPD7251 Discontinued
0.719 Intermediate Similarity NPD2935 Discontinued
0.7185 Intermediate Similarity NPD1358 Approved
0.7183 Intermediate Similarity NPD1651 Approved
0.717 Intermediate Similarity NPD920 Approved
0.7152 Intermediate Similarity NPD230 Phase 1
0.7152 Intermediate Similarity NPD2532 Approved
0.7152 Intermediate Similarity NPD2533 Approved
0.7152 Intermediate Similarity NPD2534 Approved
0.7143 Intermediate Similarity NPD4380 Phase 2
0.7143 Intermediate Similarity NPD6599 Discontinued
0.7143 Intermediate Similarity NPD5647 Approved
0.7125 Intermediate Similarity NPD1653 Approved
0.7124 Intermediate Similarity NPD3748 Approved
0.7119 Intermediate Similarity NPD7296 Approved
0.7118 Intermediate Similarity NPD5844 Phase 1
0.7117 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD7819 Suspended
0.7115 Intermediate Similarity NPD8166 Discontinued
0.7115 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD4420 Approved
0.7111 Intermediate Similarity NPD3134 Approved
0.7103 Intermediate Similarity NPD1608 Approved
0.7103 Intermediate Similarity NPD3972 Approved
0.7097 Intermediate Similarity NPD2424 Discontinued
0.7097 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD1511 Approved
0.7086 Intermediate Similarity NPD8434 Phase 2
0.7086 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD5402 Approved
0.7067 Intermediate Similarity NPD3764 Approved
0.7063 Intermediate Similarity NPD5691 Approved
0.7063 Intermediate Similarity NPD5585 Approved
0.7059 Intermediate Similarity NPD7097 Phase 1
0.7051 Intermediate Similarity NPD6674 Discontinued
0.7047 Intermediate Similarity NPD6832 Phase 2
0.7044 Intermediate Similarity NPD3688 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD3146 Approved
0.7041 Intermediate Similarity NPD2403 Approved
0.7039 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD1281 Approved
0.7032 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD6002 Phase 3
0.7032 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD6004 Phase 3
0.7032 Intermediate Similarity NPD6005 Phase 3
0.702 Intermediate Similarity NPD8032 Phase 2
0.702 Intermediate Similarity NPD6233 Phase 2
0.7019 Intermediate Similarity NPD4210 Discontinued
0.7013 Intermediate Similarity NPD1510 Phase 2
0.7013 Intermediate Similarity NPD7033 Discontinued
0.7011 Intermediate Similarity NPD8313 Approved
0.7011 Intermediate Similarity NPD8312 Approved
0.7 Intermediate Similarity NPD1512 Approved
0.6994 Remote Similarity NPD6873 Phase 2
0.6993 Remote Similarity NPD6653 Approved
0.6993 Remote Similarity NPD2492 Phase 1
0.6988 Remote Similarity NPD7075 Discontinued
0.6987 Remote Similarity NPD1549 Phase 2
0.6986 Remote Similarity NPD2981 Phase 2
0.6981 Remote Similarity NPD4357 Discontinued
0.6975 Remote Similarity NPD7458 Discontinued
0.6974 Remote Similarity NPD1240 Approved
0.6971 Remote Similarity NPD7090 Clinical (unspecified phase)
0.697 Remote Similarity NPD5978 Approved
0.697 Remote Similarity NPD5977 Approved
0.6962 Remote Similarity NPD3887 Approved
0.6959 Remote Similarity NPD3266 Approved
0.6959 Remote Similarity NPD3267 Approved
0.6957 Remote Similarity NPD5006 Approved
0.6957 Remote Similarity NPD5005 Approved
0.6954 Remote Similarity NPD6798 Discontinued
0.6954 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6954 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6951 Remote Similarity NPD6801 Discontinued
0.6943 Remote Similarity NPD2800 Approved
0.6943 Remote Similarity NPD1243 Approved
0.6943 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6939 Remote Similarity NPD2983 Phase 2
0.6939 Remote Similarity NPD2982 Phase 2
0.6937 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6923 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6923 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6923 Remote Similarity NPD2346 Discontinued
0.6923 Remote Similarity NPD2344 Approved
0.6923 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6919 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6918 Remote Similarity NPD5058 Phase 3
0.6918 Remote Similarity NPD643 Clinical (unspecified phase)
0.6909 Remote Similarity NPD8455 Phase 2
0.6899 Remote Similarity NPD3750 Approved
0.6894 Remote Similarity NPD6273 Approved
0.6892 Remote Similarity NPD1283 Approved
0.6887 Remote Similarity NPD7095 Approved
0.6883 Remote Similarity NPD1607 Approved
0.6871 Remote Similarity NPD3226 Approved
0.6867 Remote Similarity NPD3018 Phase 2
0.6867 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6867 Remote Similarity NPD2861 Phase 2
0.6863 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6863 Remote Similarity NPD1613 Approved
0.6859 Remote Similarity NPD2531 Phase 2
0.6857 Remote Similarity NPD228 Approved
0.6855 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6852 Remote Similarity NPD5403 Approved
0.6846 Remote Similarity NPD2797 Approved
0.6845 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6842 Remote Similarity NPD3268 Approved
0.6842 Remote Similarity NPD2313 Discontinued
0.6839 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6835 Remote Similarity NPD4236 Phase 3
0.6835 Remote Similarity NPD4237 Approved
0.6835 Remote Similarity NPD2067 Discontinued
0.6832 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6832 Remote Similarity NPD5401 Approved
0.6826 Remote Similarity NPD5019 Clinical (unspecified phase)
0.6824 Remote Similarity NPD4359 Approved
0.6818 Remote Similarity NPD3657 Discovery
0.6816 Remote Similarity NPD7235 Clinical (unspecified phase)
0.6815 Remote Similarity NPD1471 Phase 3
0.6813 Remote Similarity NPD6652 Clinical (unspecified phase)
0.6807 Remote Similarity NPD1465 Phase 2
0.6807 Remote Similarity NPD5563 Clinical (unspecified phase)
0.6803 Remote Similarity NPD1091 Approved

Structure

External Identifiers

PubChem CID   36406703
ChEMBL   CHEMBL33562
ZINC  

Physicochemical Properties

Molecular Weight:  388.19
ALogP:  0.5287
MLogP:  3.22
XLogP:  2.373
# Rotatable Bonds:  12
Polar Surface Area:  63.22
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  28

Download Data

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