Natural Product: NPC197596

Natural Product ID:  NPC197596
Common Name:   Epoxyazadiradione
IUPAC Name:  
Synonyms:   Epoxyazadiradione
Molecular Formula:   C28H34O6
Standard InCHIKey:  NEYCGDYQBQONFC-GGPFZBFUSA-N
Standard InCHI:  InChI=1S/C28H34O6/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)22(31)23-28(26,34-23)27(17,20)6/h8-10,12,14,17-18,20-21,23H,7,11,13H2,1-6H3/t17-,18+,20-,21-,23-,25-,26+,27+,28-/m1/s1
Canonical SMILES:  CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@@]2([C@@H]2[C@]1(C)[C@@]13O[C@@H]1C(=O)[C@H]([C@@]3(CC2)C)c1ccoc1)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
NPO8783 Stachys palustris Species Lamiaceae Eukaryota UNPD*
NPO2006 Centaurea sinaica Species Asteraceae Eukaryota UNPD*
NPO3846 Melia indica Species Meliaceae Eukaryota UNPD*
NPO15379 Phalaenopsis schilleriana Species Orchidaceae Eukaryota UNPD*
NPO5587 Chisocheton ceramicus Species Meliaceae Eukaryota UNPD*
NPO2423 Melochia corchorifolia Species Malvaceae Eukaryota UNPD*
NPO1058 Pestalotiopsis heterocornis Species Sporocadaceae Eukaryota UNPD*
NPO3846 Melia indica Species Meliaceae Eukaryota TCMID*
NPO9217 Daphniphyllum angustifolium Species Daphniphyllaceae Eukaryota UNPD*
NPO4406 Azadirachta indica Species Meliaceae Eukaryota fruits PMID[20669933]
NPO4406 Azadirachta indica Species Meliaceae Eukaryota Seeds PMID[21381696]
NPO7202 Goniothalamus giganteus Species Annonaceae Eukaryota UNPD*
NPO26224 Walsura piscidia Species Meliaceae Eukaryota UNPD*
NPO774 Cleome pungens Species Cleomaceae Eukaryota UNPD*
NPO1594 [enterobacter] aerogenes Species Enterobacteriaceae Bacteria UNPD*
NPO8249 Marcetella moquiniana Species Rosaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 3300 nM 20669933
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 2160 nM 20669933
NPT116 Cell Line HL-60 Homo sapiens IC50 = 9300 nM 21381696
NPT134 Cell Line SK-BR-3 Homo sapiens IC50 = 12300 nM 21381696
NPT81 Cell Line A549 Homo sapiens IC50 > 20000 nM 21381696
NPT2 Others Unspecified IC50 > 20000 nM 21381696
NPT1250 Individual Protein Macrophage migration inhibitory factor Homo sapiens IC50 = 6000 nM 23067344
NPT5125 Individual Protein Macrophage migration inhibitory factor homologue Plasmodium falciparum (isolate 3D7) IC50 = 10000 nM 23067344
NPT115 Organism Mycobacterium tuberculosis H37Ra Mycobacterium tuberculosis H37Ra MIC = 25 ug/ml 22280816
NPT847 Organism Reticulitermes speratus Reticulitermes speratus Survival = 64 % 10.1271/bbb.56.1835
NPT847 Organism Reticulitermes speratus Reticulitermes speratus Survival = 76.5 % 10.1271/bbb.56.1835
NPT847 Organism Reticulitermes speratus Reticulitermes speratus Survival = 77 % 10.1271/bbb.56.1835
NPT847 Organism Reticulitermes speratus Reticulitermes speratus Survival = 75.5 % 10.1271/bbb.56.1835

  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 NPC197596 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
0.9379 High Similarity NPC167340
0.9375 High Similarity NPC469848
0.9299 High Similarity NPC663
0.9299 High Similarity NPC224394
0.9231 High Similarity NPC474932
0.9114 High Similarity NPC471167
0.9114 High Similarity NPC6326
0.9114 High Similarity NPC471166
0.9103 High Similarity NPC209364
0.9103 High Similarity NPC60973
0.9062 High Similarity NPC478178
0.9057 High Similarity NPC471168
0.9045 High Similarity NPC286722
0.9038 High Similarity NPC469850
0.9006 High Similarity NPC478179
0.8994 High Similarity NPC470939
0.8994 High Similarity NPC472668
0.8987 High Similarity NPC475295
0.8987 High Similarity NPC237155
0.8987 High Similarity NPC473473
0.8981 High Similarity NPC107646
0.8981 High Similarity NPC204663
0.8981 High Similarity NPC263265
0.8968 High Similarity NPC272590
0.8938 High Similarity NPC472669
0.8931 High Similarity NPC305016
0.8931 High Similarity NPC25255
0.8929 High Similarity NPC242068
0.8929 High Similarity NPC247563
0.8924 High Similarity NPC195131
0.8924 High Similarity NPC472283
0.8903 High Similarity NPC477404
0.8903 High Similarity NPC159927
0.8903 High Similarity NPC156189
0.8903 High Similarity NPC196864
0.8903 High Similarity NPC469335
0.8889 High Similarity NPC473766
0.8889 High Similarity NPC476224
0.8889 High Similarity NPC476850
0.8889 High Similarity NPC471292
0.8889 High Similarity NPC473753
0.8889 High Similarity NPC476861
0.8882 High Similarity NPC476858
0.8882 High Similarity NPC238843
0.8882 High Similarity NPC476856
0.8882 High Similarity NPC199044
0.8882 High Similarity NPC123088
0.8882 High Similarity NPC476857
0.8875 High Similarity NPC193798
0.8875 High Similarity NPC5079
0.8861 High Similarity NPC126723
0.8855 High Similarity NPC478177
0.8841 High Similarity NPC285227
0.8834 High Similarity NPC327922
0.8831 High Similarity NPC221809
0.8827 High Similarity NPC149945
0.882 High Similarity NPC51568
0.882 High Similarity NPC165218
0.882 High Similarity NPC234660
0.8817 High Similarity NPC105395
0.8812 High Similarity NPC191828
0.8812 High Similarity NPC475381
0.8797 High Similarity NPC471175
0.879 High Similarity NPC75906
0.878 High Similarity NPC470995
0.8773 High Similarity NPC476853
0.8773 High Similarity NPC173516
0.8766 High Similarity NPC262198
0.8765 High Similarity NPC476860
0.8758 High Similarity NPC472767
0.875 High Similarity NPC473368
0.875 High Similarity NPC477403
0.8742 High Similarity NPC471169
0.8742 High Similarity NPC175964
0.8735 High Similarity NPC236004
0.8735 High Similarity NPC471437
0.8734 High Similarity NPC178932
0.8727 High Similarity NPC159232
0.8726 High Similarity NPC18135
0.872 High Similarity NPC471397
0.8718 High Similarity NPC472654
0.8718 High Similarity NPC470790
0.8718 High Similarity NPC470791
0.8712 High Similarity NPC23387
0.8704 High Similarity NPC469846
0.8704 High Similarity NPC469338
0.8704 High Similarity NPC292389
0.8696 High Similarity NPC472653
0.8696 High Similarity NPC335761
0.8679 High Similarity NPC92979
0.8679 High Similarity NPC469336
0.8671 High Similarity NPC246164
0.8659 High Similarity NPC472282
0.865 High Similarity NPC276551
0.865 High Similarity NPC469849
0.865 High Similarity NPC470940
0.8642 High Similarity NPC329938
0.8642 High Similarity NPC69028
0.8623 High Similarity NPC94763
0.8618 High Similarity NPC56197
0.8616 High Similarity NPC57998
0.8608 High Similarity NPC116717
0.8606 High Similarity NPC160651
0.8606 High Similarity NPC242334
0.8599 High Similarity NPC471001
0.8598 High Similarity NPC470875
0.8598 High Similarity NPC214600
0.859 High Similarity NPC471174
0.8589 High Similarity NPC476197
0.8589 High Similarity NPC477405
0.8589 High Similarity NPC134254
0.8589 High Similarity NPC39986
0.8589 High Similarity NPC302369
0.858 High Similarity NPC477402
0.8571 High Similarity NPC249021
0.8571 High Similarity NPC187149
0.8571 High Similarity NPC167142
0.8571 High Similarity NPC472772
0.8571 High Similarity NPC469847
0.8562 High Similarity NPC214541
0.8562 High Similarity NPC264943
0.8562 High Similarity NPC44675
0.8554 High Similarity NPC302392
0.8554 High Similarity NPC472659
0.8545 High Similarity NPC472651
0.8545 High Similarity NPC472764
0.8544 High Similarity NPC46551
0.8544 High Similarity NPC476122
0.8528 High Similarity NPC96443
0.8528 High Similarity NPC5741
0.8528 High Similarity NPC290400
0.8528 High Similarity NPC117986
0.8516 High Similarity NPC142113
0.8516 High Similarity NPC86935
0.8512 High Similarity NPC471632
0.8512 High Similarity NPC469576
0.8509 High Similarity NPC469485
0.8506 High Similarity NPC473152
0.85 High Similarity NPC30222
0.8494 Intermediate Similarity NPC472766
0.8494 Intermediate Similarity NPC271235
0.8494 Intermediate Similarity NPC472652
0.8494 Intermediate Similarity NPC472765
0.8491 Intermediate Similarity NPC291150
0.8481 Intermediate Similarity NPC329180
0.8471 Intermediate Similarity NPC216755
0.8471 Intermediate Similarity NPC470941
0.8466 Intermediate Similarity NPC470789
0.8462 Intermediate Similarity NPC469633
0.8462 Intermediate Similarity NPC185456
0.8457 Intermediate Similarity NPC299038
0.8457 Intermediate Similarity NPC470118
0.8457 Intermediate Similarity NPC261597
0.8457 Intermediate Similarity NPC173544
0.8452 Intermediate Similarity NPC223415
0.8447 Intermediate Similarity NPC35000
0.8438 Intermediate Similarity NPC476201
0.8438 Intermediate Similarity NPC469503
0.8438 Intermediate Similarity NPC84063
0.8434 Intermediate Similarity NPC472775
0.8434 Intermediate Similarity NPC472774
0.8428 Intermediate Similarity NPC5180
0.8428 Intermediate Similarity NPC470997
0.8418 Intermediate Similarity NPC19747
0.8415 Intermediate Similarity NPC82851
0.8415 Intermediate Similarity NPC263432
0.8415 Intermediate Similarity NPC472771
0.8415 Intermediate Similarity NPC149896
0.8408 Intermediate Similarity NPC470999
0.8405 Intermediate Similarity NPC475967
0.8397 Intermediate Similarity NPC251865
0.8395 Intermediate Similarity NPC41880
0.8395 Intermediate Similarity NPC104736
0.8387 Intermediate Similarity NPC121158
0.8385 Intermediate Similarity NPC282445
0.8373 Intermediate Similarity NPC475779
0.8366 Intermediate Similarity NPC476943
0.8365 Intermediate Similarity NPC195325
0.8364 Intermediate Similarity NPC419
0.8364 Intermediate Similarity NPC472773
0.8354 Intermediate Similarity NPC287559
0.8354 Intermediate Similarity NPC333139
0.8354 Intermediate Similarity NPC224418
0.8344 Intermediate Similarity NPC34056
0.8344 Intermediate Similarity NPC36655
0.8344 Intermediate Similarity NPC197137
0.8344 Intermediate Similarity NPC304692
0.8344 Intermediate Similarity NPC81405
0.8333 Intermediate Similarity NPC243577
0.8333 Intermediate Similarity NPC267632
0.8333 Intermediate Similarity NPC141538
0.8333 Intermediate Similarity NPC25351
0.8333 Intermediate Similarity NPC75310
0.8333 Intermediate Similarity NPC296807
0.8333 Intermediate Similarity NPC155939
0.8333 Intermediate Similarity NPC470741
0.8333 Intermediate Similarity NPC476262
0.8323 Intermediate Similarity NPC471002
0.8323 Intermediate Similarity NPC33938
0.8323 Intermediate Similarity NPC268905

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC197596 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
0.8679 High Similarity NPD5761 Phase 2
0.8679 High Similarity NPD5760 Phase 2
0.8354 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.814 Intermediate Similarity NPD6765 Approved
0.814 Intermediate Similarity NPD6764 Approved
0.8011 Intermediate Similarity NPD8434 Phase 2
0.7955 Intermediate Similarity NPD6784 Approved
0.7955 Intermediate Similarity NPD6785 Approved
0.7516 Intermediate Similarity NPD1471 Phase 3
0.7394 Intermediate Similarity NPD7236 Approved
0.7207 Intermediate Similarity NPD7799 Discontinued
0.7176 Intermediate Similarity NPD7239 Suspended
0.7118 Intermediate Similarity NPD920 Approved
0.7111 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD6599 Discontinued
0.7069 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD6273 Approved
0.7035 Intermediate Similarity NPD3226 Approved
0.7022 Intermediate Similarity NPD1247 Approved
0.7006 Intermediate Similarity NPD919 Approved
0.7 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.6988 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6971 Remote Similarity NPD7819 Suspended
0.6949 Remote Similarity NPD7075 Discontinued
0.6905 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6898 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6897 Remote Similarity NPD8404 Phase 2
0.6882 Remote Similarity NPD643 Clinical (unspecified phase)
0.6872 Remote Similarity NPD5494 Approved
0.6864 Remote Similarity NPD4628 Phase 3
0.6842 Remote Similarity NPD6799 Approved
0.6826 Remote Similarity NPD2796 Approved
0.6818 Remote Similarity NPD6801 Discontinued
0.6798 Remote Similarity NPD7057 Phase 3
0.6798 Remote Similarity NPD7058 Phase 2
0.6796 Remote Similarity NPD6808 Phase 2
0.6786 Remote Similarity NPD5762 Approved
0.6786 Remote Similarity NPD5763 Approved
0.6768 Remote Similarity NPD8032 Phase 2
0.6761 Remote Similarity NPD7411 Suspended
0.676 Remote Similarity NPD3749 Approved
0.6742 Remote Similarity NPD3817 Phase 2
0.6742 Remote Similarity NPD8443 Clinical (unspecified phase)
0.674 Remote Similarity NPD8127 Discontinued
0.6719 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6706 Remote Similarity NPD1243 Approved
0.6705 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6705 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6686 Remote Similarity NPD6002 Phase 3
0.6686 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6686 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6686 Remote Similarity NPD2346 Discontinued
0.6686 Remote Similarity NPD6005 Phase 3
0.6686 Remote Similarity NPD6004 Phase 3
0.6684 Remote Similarity NPD6559 Discontinued
0.6684 Remote Similarity NPD7685 Pre-registration
0.6667 Remote Similarity NPD3748 Approved
0.6667 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3926 Phase 2
0.6667 Remote Similarity NPD2799 Discontinued
0.6649 Remote Similarity NPD3751 Discontinued
0.6648 Remote Similarity NPD5402 Approved
0.6611 Remote Similarity NPD3882 Suspended
0.6609 Remote Similarity NPD2532 Approved
0.6609 Remote Similarity NPD2533 Approved
0.6609 Remote Similarity NPD2534 Approved
0.6599 Remote Similarity NPD8285 Discontinued
0.6595 Remote Similarity NPD7473 Discontinued
0.6588 Remote Similarity NPD2344 Approved
0.6587 Remote Similarity NPD6355 Discontinued
0.6585 Remote Similarity NPD6832 Phase 2
0.6576 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6568 Remote Similarity NPD7033 Discontinued
0.6566 Remote Similarity NPD4107 Approved
0.655 Remote Similarity NPD7497 Discontinued
0.6543 Remote Similarity NPD1876 Approved
0.6541 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6541 Remote Similarity NPD2403 Approved
0.6534 Remote Similarity NPD5403 Approved
0.6532 Remote Similarity NPD3887 Approved
0.6527 Remote Similarity NPD4140 Approved
0.6517 Remote Similarity NPD7028 Phase 2
0.6514 Remote Similarity NPD5401 Approved
0.6512 Remote Similarity NPD2800 Approved
0.6506 Remote Similarity NPD2313 Discontinued
0.6503 Remote Similarity NPD3267 Approved
0.6503 Remote Similarity NPD3266 Approved
0.65 Remote Similarity NPD2393 Clinical (unspecified phase)
0.65 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6492 Remote Similarity NPD8407 Phase 2
0.6481 Remote Similarity NPD5327 Phase 3
0.6474 Remote Similarity NPD3750 Approved
0.6463 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6461 Remote Similarity NPD7458 Discontinued
0.6453 Remote Similarity NPD1549 Phase 2
0.645 Remote Similarity NPD4482 Phase 3
0.644 Remote Similarity NPD8313 Approved
0.644 Remote Similarity NPD8312 Approved
0.6438 Remote Similarity NPD17 Approved
0.6437 Remote Similarity NPD2309 Approved
0.6436 Remote Similarity NPD5844 Phase 1
0.6436 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6433 Remote Similarity NPD1551 Phase 2
0.6433 Remote Similarity NPD6099 Approved
0.6433 Remote Similarity NPD6100 Approved
0.6432 Remote Similarity NPD3787 Discontinued
0.6432 Remote Similarity NPD6232 Discontinued
0.6429 Remote Similarity NPD7768 Phase 2
0.6425 Remote Similarity NPD8150 Discontinued
0.6424 Remote Similarity NPD6008 Approved
0.6421 Remote Similarity NPD8368 Discontinued
0.642 Remote Similarity NPD3972 Approved
0.6407 Remote Similarity NPD3268 Approved
0.6402 Remote Similarity NPD1049 Clinical (unspecified phase)
0.6395 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6395 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6391 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6386 Remote Similarity NPD7435 Discontinued
0.6384 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6383 Remote Similarity NPD3818 Discontinued
0.6378 Remote Similarity NPD6959 Discontinued
0.6378 Remote Similarity NPD7199 Phase 2
0.6374 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6369 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6369 Remote Similarity NPD6663 Approved
0.6369 Remote Similarity NPD7961 Discontinued
0.6358 Remote Similarity NPD970 Clinical (unspecified phase)
0.6358 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6354 Remote Similarity NPD6279 Approved
0.6354 Remote Similarity NPD1934 Approved
0.6354 Remote Similarity NPD6280 Approved
0.6353 Remote Similarity NPD6353 Approved
0.6348 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6344 Remote Similarity NPD7229 Phase 3
0.6339 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6337 Remote Similarity NPD2935 Discontinued
0.6335 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6333 Remote Similarity NPD4380 Phase 2
0.6331 Remote Similarity NPD4307 Phase 2
0.6328 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6319 Remote Similarity NPD1608 Approved
0.631 Remote Similarity NPD6859 Clinical (unspecified phase)
0.631 Remote Similarity NPD3764 Approved
0.6304 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6302 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6301 Remote Similarity NPD2353 Approved
0.6301 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6294 Remote Similarity NPD5735 Approved
0.6286 Remote Similarity NPD7003 Approved
0.6279 Remote Similarity NPD1510 Phase 2
0.6277 Remote Similarity NPD6166 Phase 2
0.6277 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6277 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6276 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6273 Remote Similarity NPD5585 Approved
0.6265 Remote Similarity NPD2798 Approved
0.6265 Remote Similarity NPD5647 Approved
0.6258 Remote Similarity NPD7492 Approved
0.6257 Remote Similarity NPD7315 Approved
0.625 Remote Similarity NPD7095 Approved
0.625 Remote Similarity NPD7251 Discontinued
0.625 Remote Similarity NPD4965 Approved
0.625 Remote Similarity NPD4966 Approved
0.625 Remote Similarity NPD4967 Phase 2
0.6235 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6235 Remote Similarity NPD2979 Phase 3
0.6233 Remote Similarity NPD5619 Clinical (unspecified phase)
0.623 Remote Similarity NPD2801 Approved
0.6228 Remote Similarity NPD5736 Approved
0.622 Remote Similarity NPD6616 Approved
0.6218 Remote Similarity NPD6649 Approved
0.6218 Remote Similarity NPD7808 Phase 3
0.6218 Remote Similarity NPD6650 Approved
0.6215 Remote Similarity NPD7907 Approved
0.6213 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6213 Remote Similarity NPD6798 Discontinued
0.6211 Remote Similarity NPD6054 Approved
0.6209 Remote Similarity NPD5890 Approved
0.6209 Remote Similarity NPD5889 Approved
0.6202 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6202 Remote Similarity NPD7874 Approved
0.6201 Remote Similarity NPD1512 Approved
0.6198 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6198 Remote Similarity NPD5953 Discontinued
0.6198 Remote Similarity NPD6797 Phase 2
0.6197 Remote Similarity NPD4111 Phase 1
0.6193 Remote Similarity NPD4110 Phase 3
0.6193 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6193 Remote Similarity NPD8435 Approved
0.6193 Remote Similarity NPD1878 Clinical (unspecified phase)
0.619 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6185 Remote Similarity NPD4308 Phase 3
0.6183 Remote Similarity NPD6234 Discontinued
0.6182 Remote Similarity NPD7078 Approved
0.618 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6179 Remote Similarity NPD5980 Discovery
0.6178 Remote Similarity NPD7286 Phase 2
0.6176 Remote Similarity NPD6233 Phase 2
0.6176 Remote Similarity NPD3057 Approved
0.6175 Remote Similarity NPD37 Approved

Structure

External Identifiers

PubChem CID   49863985
ChEMBL   CHEMBL1214684
ZINC  

Physicochemical Properties

Molecular Weight:  466.24
ALogP:  0.8496
MLogP:  3.88
XLogP:  3.243
# Rotatable Bonds:  9
Polar Surface Area:  86.11
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  6
# Heavy Atoms:  34

Download Data

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