Natural Product: NPC250312

Natural Product ID:  NPC250312
Common Name:   Ashwagandhanolide
IUPAC Name:   (2R)-2-[(1S)-1-[(4S,5R,6S,8S,9S,10R,13S,14S,17R)-6-[[(4S,5R,6S,8S,9S,10R,13S,14S,17R)-4,5-dihydroxy-17-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-6-yl]sulfanyl]-4,5-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
Synonyms:   Ashwagandhanolide
Molecular Formula:   C56H78O12S
Standard InCHIKey:  OCURLCGFNKYNMO-DHHZIUIOSA-N
Standard InCHI:  InChI=1S/C56H78O12S/c1-27-21-41(67-49(63)33(27)25-57)29(3)35-9-11-37-31-23-47(55(65)45(61)15-13-43(59)53(55,7)39(31)17-19-51(35,37)5)69-48-24-32-38-12-10-36(30(4)42-22-28(2)34(26-58)50(64)68-42)52(38,6)20-18-40(32)54(8)44(60)14-16-46(62)56(48,54)66/h13-16,29-32,35-42,45-48,57-58,61-62,65-66H,9-12,17-26H2,1-8H3/t29-,30-,31-,32-,35+,36+,37-,38-,39-,40-,41+,42+,45-,46-,47-,48-,51+,52+,53-,54-,55+,56+/m0/s1
Canonical SMILES:  OCC1=C(C)C[C@@H](OC1=O)[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@@H]([C@]2([C@]1(C)C(=O)C=C[C@@H]2O)O)S[C@H]1C[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@@]1(O)[C@@H](O)C=CC2=O)C)[C@@H]([C@H]1CC(=C(C(=O)O1)CO)C)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
NPO15698 Withania somnifera Species Solanaceae Eukaryota roots PMID[17190461]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens Inhibition = 60 % 18986199
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens Inhibition = 65 % 3404153
NPT397 Cell Line NCI-H460 Homo sapiens IG50 = 1.48 ug/ml 3404153
NPT83 Cell Line MCF7 Homo sapiens IG50 = 1.45 ug/ml 16180826
NPT196 Cell Line AGS Homo sapiens IG50 = 0.43 ug/ml 16180826
NPT2 Others Unspecified IG50 = 1.25 ug/ml 16180826
NPT395 Cell Line SF-268 Homo sapiens IG50 = 0.84 ug/ml 2607356

  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 NPC250312 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
0.8189 Intermediate Similarity NPC67259
0.8189 Intermediate Similarity NPC147912
0.8062 Intermediate Similarity NPC286528
0.8062 Intermediate Similarity NPC20302
0.8062 Intermediate Similarity NPC167606
0.8062 Intermediate Similarity NPC140055
0.8 Intermediate Similarity NPC50774
0.8 Intermediate Similarity NPC709
0.7969 Intermediate Similarity NPC122056
0.7939 Intermediate Similarity NPC264954
0.7923 Intermediate Similarity NPC470492
0.7923 Intermediate Similarity NPC312824
0.7923 Intermediate Similarity NPC470493
0.7923 Intermediate Similarity NPC183580
0.791 Intermediate Similarity NPC3381
0.7895 Intermediate Similarity NPC23786
0.7895 Intermediate Similarity NPC470265
0.7879 Intermediate Similarity NPC474370
0.7846 Intermediate Similarity NPC64318
0.782 Intermediate Similarity NPC67569
0.7812 Intermediate Similarity NPC474315
0.7786 Intermediate Similarity NPC476965
0.7786 Intermediate Similarity NPC470959
0.7778 Intermediate Similarity NPC91034
0.7778 Intermediate Similarity NPC470494
0.7778 Intermediate Similarity NPC8369
0.7761 Intermediate Similarity NPC153700
0.7761 Intermediate Similarity NPC88326
0.7752 Intermediate Similarity NPC191620
0.7734 Intermediate Similarity NPC29133
0.7727 Intermediate Similarity NPC186525
0.7704 Intermediate Similarity NPC469789
0.7698 Intermediate Similarity NPC231240
0.7681 Intermediate Similarity NPC476966
0.7674 Intermediate Similarity NPC470961
0.7669 Intermediate Similarity NPC473274
0.7669 Intermediate Similarity NPC473270
0.7652 Intermediate Similarity NPC243065
0.7647 Intermediate Similarity NPC8374
0.7643 Intermediate Similarity NPC316915
0.7615 Intermediate Similarity NPC69291
0.7612 Intermediate Similarity NPC476961
0.7597 Intermediate Similarity NPC37116
0.7597 Intermediate Similarity NPC473627
0.7594 Intermediate Similarity NPC257457
0.7594 Intermediate Similarity NPC311554
0.7591 Intermediate Similarity NPC293112
0.7591 Intermediate Similarity NPC473635
0.7576 Intermediate Similarity NPC270929
0.7574 Intermediate Similarity NPC11895
0.7556 Intermediate Similarity NPC46570
0.7556 Intermediate Similarity NPC473256
0.7556 Intermediate Similarity NPC470878
0.7554 Intermediate Similarity NPC231529
0.7554 Intermediate Similarity NPC473593
0.754 Intermediate Similarity NPC476889
0.7536 Intermediate Similarity NPC156797
0.7519 Intermediate Similarity NPC55296
0.7519 Intermediate Similarity NPC471854
0.7519 Intermediate Similarity NPC475065
0.7518 Intermediate Similarity NPC172154
0.7518 Intermediate Similarity NPC81736
0.75 Intermediate Similarity NPC284915
0.75 Intermediate Similarity NPC170538
0.75 Intermediate Similarity NPC473284
0.75 Intermediate Similarity NPC301666
0.75 Intermediate Similarity NPC107493
0.75 Intermediate Similarity NPC269642
0.7482 Intermediate Similarity NPC245094
0.7481 Intermediate Similarity NPC236217
0.7481 Intermediate Similarity NPC476962
0.7463 Intermediate Similarity NPC329736
0.746 Intermediate Similarity NPC476890
0.746 Intermediate Similarity NPC40918
0.7442 Intermediate Similarity NPC475418
0.7442 Intermediate Similarity NPC220155
0.7442 Intermediate Similarity NPC318363
0.7442 Intermediate Similarity NPC473482
0.741 Intermediate Similarity NPC470882
0.741 Intermediate Similarity NPC473265
0.7407 Intermediate Similarity NPC476960
0.7407 Intermediate Similarity NPC61520
0.7407 Intermediate Similarity NPC230513
0.7407 Intermediate Similarity NPC475520
0.7402 Intermediate Similarity NPC180204
0.7402 Intermediate Similarity NPC112009
0.7388 Intermediate Similarity NPC239273
0.7381 Intermediate Similarity NPC476888
0.7381 Intermediate Similarity NPC93744
0.7376 Intermediate Similarity NPC220757
0.7376 Intermediate Similarity NPC196921
0.7368 Intermediate Similarity NPC474181
0.7368 Intermediate Similarity NPC470953
0.7364 Intermediate Similarity NPC330011
0.7364 Intermediate Similarity NPC329048
0.7348 Intermediate Similarity NPC100267
0.7348 Intermediate Similarity NPC475524
0.7348 Intermediate Similarity NPC470063
0.7319 Intermediate Similarity NPC473979
0.7319 Intermediate Similarity NPC204812
0.7319 Intermediate Similarity NPC120724
0.7313 Intermediate Similarity NPC148458
0.7313 Intermediate Similarity NPC268954
0.7305 Intermediate Similarity NPC35109
0.7305 Intermediate Similarity NPC470880
0.7299 Intermediate Similarity NPC4021
0.7299 Intermediate Similarity NPC129434
0.7299 Intermediate Similarity NPC159456
0.7293 Intermediate Similarity NPC25909
0.7286 Intermediate Similarity NPC473253
0.7279 Intermediate Similarity NPC475041
0.7279 Intermediate Similarity NPC473636
0.7279 Intermediate Similarity NPC211093
0.7279 Intermediate Similarity NPC77689
0.7279 Intermediate Similarity NPC473839
0.7279 Intermediate Similarity NPC42673
0.7279 Intermediate Similarity NPC5292
0.7279 Intermediate Similarity NPC472933
0.7273 Intermediate Similarity NPC469673
0.7273 Intermediate Similarity NPC470960
0.7266 Intermediate Similarity NPC32868
0.7266 Intermediate Similarity NPC475526
0.7266 Intermediate Similarity NPC318135
0.7266 Intermediate Similarity NPC329345
0.7266 Intermediate Similarity NPC475050
0.7266 Intermediate Similarity NPC241456
0.7266 Intermediate Similarity NPC72151
0.7266 Intermediate Similarity NPC473283
0.7259 Intermediate Similarity NPC134430
0.7259 Intermediate Similarity NPC475809
0.7259 Intermediate Similarity NPC472934
0.7254 Intermediate Similarity NPC173347
0.7252 Intermediate Similarity NPC5475
0.7252 Intermediate Similarity NPC284828
0.7252 Intermediate Similarity NPC472216
0.7252 Intermediate Similarity NPC173905
0.7244 Intermediate Similarity NPC235142
0.7239 Intermediate Similarity NPC110861
0.7234 Intermediate Similarity NPC473620
0.7231 Intermediate Similarity NPC131665
0.7231 Intermediate Similarity NPC475294
0.7231 Intermediate Similarity NPC255387
0.7226 Intermediate Similarity NPC79579
0.7226 Intermediate Similarity NPC474585
0.7226 Intermediate Similarity NPC251226
0.7226 Intermediate Similarity NPC268530
0.7226 Intermediate Similarity NPC154491
0.7222 Intermediate Similarity NPC478056
0.7222 Intermediate Similarity NPC476823
0.7218 Intermediate Similarity NPC221144
0.7218 Intermediate Similarity NPC476163
0.7218 Intermediate Similarity NPC285956
0.7214 Intermediate Similarity NPC120994
0.7214 Intermediate Similarity NPC203702
0.7206 Intermediate Similarity NPC473720
0.7206 Intermediate Similarity NPC153440
0.7206 Intermediate Similarity NPC475913
0.7203 Intermediate Similarity NPC233223
0.7203 Intermediate Similarity NPC319719
0.7203 Intermediate Similarity NPC473679
0.7203 Intermediate Similarity NPC475177
0.7203 Intermediate Similarity NPC34963
0.7203 Intermediate Similarity NPC322904
0.7203 Intermediate Similarity NPC475444
0.7203 Intermediate Similarity NPC196874
0.7203 Intermediate Similarity NPC324933
0.7203 Intermediate Similarity NPC183816
0.7197 Intermediate Similarity NPC16270
0.7188 Intermediate Similarity NPC273668
0.7188 Intermediate Similarity NPC320447
0.7188 Intermediate Similarity NPC32577
0.7188 Intermediate Similarity NPC114540
0.7188 Intermediate Similarity NPC155332
0.7185 Intermediate Similarity NPC476963
0.7185 Intermediate Similarity NPC190286
0.7185 Intermediate Similarity NPC44170
0.7185 Intermediate Similarity NPC176840
0.7185 Intermediate Similarity NPC470075
0.7183 Intermediate Similarity NPC221414
0.7183 Intermediate Similarity NPC471407
0.7176 Intermediate Similarity NPC472219
0.7176 Intermediate Similarity NPC472218
0.7176 Intermediate Similarity NPC472825
0.7176 Intermediate Similarity NPC472217
0.7165 Intermediate Similarity NPC474012
0.7165 Intermediate Similarity NPC476299
0.7165 Intermediate Similarity NPC201406
0.7164 Intermediate Similarity NPC472926
0.7164 Intermediate Similarity NPC472929
0.7163 Intermediate Similarity NPC42399
0.7163 Intermediate Similarity NPC287903
0.7163 Intermediate Similarity NPC287423
0.7154 Intermediate Similarity NPC189863
0.7154 Intermediate Similarity NPC475494
0.7154 Intermediate Similarity NPC266570
0.7153 Intermediate Similarity NPC232258
0.7153 Intermediate Similarity NPC58029
0.7153 Intermediate Similarity NPC475834
0.7153 Intermediate Similarity NPC474179
0.7153 Intermediate Similarity NPC469674

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC250312 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
0.8062 Intermediate Similarity NPD7115 Discovery
0.7299 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD6052 Approved
0.7007 Intermediate Similarity NPD6317 Approved
0.6963 Remote Similarity NPD8297 Approved
0.6953 Remote Similarity NPD4225 Approved
0.6905 Remote Similarity NPD7748 Approved
0.6889 Remote Similarity NPD6649 Approved
0.6889 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6889 Remote Similarity NPD6650 Approved
0.6875 Remote Similarity NPD7902 Approved
0.6828 Remote Similarity NPD7319 Approved
0.6791 Remote Similarity NPD6881 Approved
0.6791 Remote Similarity NPD6899 Approved
0.6791 Remote Similarity NPD7320 Approved
0.6769 Remote Similarity NPD7640 Approved
0.6769 Remote Similarity NPD7639 Approved
0.6765 Remote Similarity NPD8130 Phase 1
0.6759 Remote Similarity NPD7736 Approved
0.6746 Remote Similarity NPD7515 Phase 2
0.6741 Remote Similarity NPD6372 Approved
0.6741 Remote Similarity NPD6373 Approved
0.6738 Remote Similarity NPD6319 Approved
0.6736 Remote Similarity NPD7507 Approved
0.6716 Remote Similarity NPD5697 Approved
0.6715 Remote Similarity NPD6882 Approved
0.6692 Remote Similarity NPD7638 Approved
0.6691 Remote Similarity NPD6883 Approved
0.6691 Remote Similarity NPD7290 Approved
0.6691 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6691 Remote Similarity NPD7102 Approved
0.6691 Remote Similarity NPD5135 Approved
0.669 Remote Similarity NPD8033 Approved
0.6642 Remote Similarity NPD6402 Approved
0.6642 Remote Similarity NPD6869 Approved
0.6642 Remote Similarity NPD6617 Approved
0.6642 Remote Similarity NPD5739 Approved
0.6642 Remote Similarity NPD6847 Approved
0.6642 Remote Similarity NPD6675 Approved
0.6642 Remote Similarity NPD7128 Approved
0.6641 Remote Similarity NPD7900 Approved
0.6641 Remote Similarity NPD7901 Clinical (unspecified phase)
0.662 Remote Similarity NPD8294 Approved
0.662 Remote Similarity NPD8377 Approved
0.6618 Remote Similarity NPD6012 Approved
0.6618 Remote Similarity NPD6014 Approved
0.6618 Remote Similarity NPD6013 Approved
0.6597 Remote Similarity NPD8328 Phase 3
0.6575 Remote Similarity NPD7078 Approved
0.6573 Remote Similarity NPD8380 Approved
0.6573 Remote Similarity NPD7503 Approved
0.6573 Remote Similarity NPD8379 Approved
0.6573 Remote Similarity NPD8296 Approved
0.6573 Remote Similarity NPD8335 Approved
0.6573 Remote Similarity NPD8378 Approved
0.6562 Remote Similarity NPD6399 Phase 3
0.6552 Remote Similarity NPD7492 Approved
0.6544 Remote Similarity NPD6011 Approved
0.6541 Remote Similarity NPD5211 Phase 2
0.6507 Remote Similarity NPD6616 Approved
0.6503 Remote Similarity NPD6054 Approved
0.6493 Remote Similarity NPD4754 Approved
0.6489 Remote Similarity NPD6084 Phase 2
0.6489 Remote Similarity NPD6083 Phase 2
0.6484 Remote Similarity NPD8034 Phase 2
0.6484 Remote Similarity NPD6079 Approved
0.6484 Remote Similarity NPD8035 Phase 2
0.6479 Remote Similarity NPD7328 Approved
0.6479 Remote Similarity NPD7327 Approved
0.6475 Remote Similarity NPD6053 Discontinued
0.6471 Remote Similarity NPD5701 Approved
0.6458 Remote Similarity NPD8513 Phase 3
0.6449 Remote Similarity NPD4634 Approved
0.6444 Remote Similarity NPD5141 Approved
0.6439 Remote Similarity NPD5290 Discontinued
0.6434 Remote Similarity NPD7516 Approved
0.6429 Remote Similarity NPD4632 Approved
0.6414 Remote Similarity NPD6370 Approved
0.6406 Remote Similarity NPD5785 Approved
0.6391 Remote Similarity NPD5285 Approved
0.6391 Remote Similarity NPD5286 Approved
0.6391 Remote Similarity NPD4696 Approved
0.637 Remote Similarity NPD6067 Discontinued
0.6357 Remote Similarity NPD4810 Clinical (unspecified phase)
0.6352 Remote Similarity NPD7625 Phase 1
0.6351 Remote Similarity NPD8293 Discontinued
0.6349 Remote Similarity NPD3618 Phase 1
0.6345 Remote Similarity NPD8517 Approved
0.6345 Remote Similarity NPD8515 Approved
0.6345 Remote Similarity NPD8516 Approved
0.6345 Remote Similarity NPD6015 Approved
0.6345 Remote Similarity NPD6016 Approved
0.6336 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6336 Remote Similarity NPD5695 Phase 3
0.6328 Remote Similarity NPD5328 Approved
0.6319 Remote Similarity NPD7101 Approved
0.6319 Remote Similarity NPD7100 Approved
0.6316 Remote Similarity NPD5696 Approved
0.6312 Remote Similarity NPD8133 Approved
0.6304 Remote Similarity NPD6686 Approved
0.6301 Remote Similarity NPD5988 Approved
0.6296 Remote Similarity NPD7632 Discontinued
0.6296 Remote Similarity NPD5225 Approved
0.6296 Remote Similarity NPD4633 Approved
0.6296 Remote Similarity NPD5224 Approved
0.6296 Remote Similarity NPD5226 Approved
0.6294 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6288 Remote Similarity NPD5221 Approved
0.6288 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6288 Remote Similarity NPD5222 Approved
0.6277 Remote Similarity NPD6008 Approved
0.6276 Remote Similarity NPD6059 Approved
0.627 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6259 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6259 Remote Similarity NPD4061 Clinical (unspecified phase)
0.625 Remote Similarity NPD6335 Approved
0.625 Remote Similarity NPD5174 Approved
0.625 Remote Similarity NPD7513 Clinical (unspecified phase)
0.625 Remote Similarity NPD5175 Approved
0.625 Remote Similarity NPD6903 Approved
0.6241 Remote Similarity NPD5173 Approved
0.6241 Remote Similarity NPD4755 Approved
0.6224 Remote Similarity NPD6868 Approved
0.6224 Remote Similarity NPD6274 Approved
0.6222 Remote Similarity NPD5223 Approved
0.622 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6214 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6214 Remote Similarity NPD6371 Approved
0.6212 Remote Similarity NPD5210 Approved
0.6212 Remote Similarity NPD4629 Approved
0.6202 Remote Similarity NPD5370 Suspended
0.619 Remote Similarity NPD4786 Approved
0.6187 Remote Similarity NPD4730 Approved
0.6187 Remote Similarity NPD4729 Approved
0.6187 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6183 Remote Similarity NPD4202 Approved
0.6181 Remote Similarity NPD6009 Approved
0.6165 Remote Similarity NPD4697 Phase 3
0.6149 Remote Similarity NPD7604 Phase 2
0.6148 Remote Similarity NPD4700 Approved
0.6142 Remote Similarity NPD1694 Approved
0.6138 Remote Similarity NPD6313 Approved
0.6138 Remote Similarity NPD6314 Approved
0.6124 Remote Similarity NPD6672 Approved
0.6124 Remote Similarity NPD5737 Approved
0.6122 Remote Similarity NPD5983 Phase 2
0.6115 Remote Similarity NPD6412 Phase 2
0.6115 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6107 Remote Similarity NPD5281 Approved
0.6107 Remote Similarity NPD5284 Approved
0.6107 Remote Similarity NPD5693 Phase 1
0.6107 Remote Similarity NPD7637 Suspended
0.6107 Remote Similarity NPD6411 Approved
0.6099 Remote Similarity NPD5248 Approved
0.6099 Remote Similarity NPD5249 Phase 3
0.6099 Remote Similarity NPD5247 Approved
0.6099 Remote Similarity NPD5250 Approved
0.6099 Remote Similarity NPD5251 Approved
0.6094 Remote Similarity NPD6684 Approved
0.6094 Remote Similarity NPD7521 Approved
0.6094 Remote Similarity NPD7334 Approved
0.6094 Remote Similarity NPD6409 Approved
0.6094 Remote Similarity NPD5330 Approved
0.6094 Remote Similarity NPD7146 Approved
0.609 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6077 Remote Similarity NPD4753 Phase 2
0.6067 Remote Similarity NPD6336 Discontinued
0.6061 Remote Similarity NPD5778 Approved
0.6061 Remote Similarity NPD5779 Approved
0.6056 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6047 Remote Similarity NPD3573 Approved
0.6043 Remote Similarity NPD4768 Approved
0.6043 Remote Similarity NPD4767 Approved
0.6032 Remote Similarity NPD3667 Approved
0.6031 Remote Similarity NPD5207 Approved
0.6016 Remote Similarity NPD5363 Approved
0.6015 Remote Similarity NPD6001 Approved
0.6014 Remote Similarity NPD6909 Approved
0.6014 Remote Similarity NPD6908 Approved
0.6 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5976 Remote Similarity NPD7236 Approved
0.5974 Remote Similarity NPD7260 Phase 2
0.5969 Remote Similarity NPD6422 Discontinued
0.5957 Remote Similarity NPD5128 Approved
0.5954 Remote Similarity NPD6080 Approved
0.5954 Remote Similarity NPD6904 Approved
0.5954 Remote Similarity NPD6673 Approved
0.5954 Remote Similarity NPD6101 Approved
0.5954 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5954 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5944 Remote Similarity NPD5215 Approved
0.5944 Remote Similarity NPD5217 Approved
0.5944 Remote Similarity NPD5216 Approved
0.5938 Remote Similarity NPD3665 Phase 1
0.5938 Remote Similarity NPD3666 Approved
0.5938 Remote Similarity NPD7305 Phase 1
0.5938 Remote Similarity NPD3133 Approved
0.5935 Remote Similarity NPD7055 Discontinued
0.593 Remote Similarity NPD7058 Phase 2
0.593 Remote Similarity NPD7057 Phase 3

Structure

External Identifiers

PubChem CID   16099532
ChEMBL   CHEMBL507211
ZINC  

Physicochemical Properties

Molecular Weight:  974.52
ALogP:  1.2614
MLogP:  6.19
XLogP:  8.649
# Rotatable Bonds:  22
Polar Surface Area:  233.42
# H-Bond Aceptor:  12
# H-Bond Donor:  6
# Rings:  10
# Heavy Atoms:  69

Download Data

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Biological Activities  
Similar NPs/Drugs