Natural Product: NPC214142

Natural Product ID:  NPC214142
Common Name:   Jasplakinolide Z1
IUPAC Name:   (3R)-3-[[(2R)-3-(2-bromo-1H-indol-3-yl)-2-[[(2S)-2-[[(E,2S,6R,8S)-8-hydroxy-2,4,6-trimethylnon-4-enoyl]amino]propanoyl]-methylamino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Synonyms:   (+)-Jasplakinolide Z1; Jasplakinolide Z1
Molecular Formula:   C36H47BrN4O7
Standard InCHIKey:  PPXQSUWEWPAOGM-DHKPLNAMSA-N
Standard InCHI:  InChI=1S/C36H47BrN4O7/c1-20(15-21(2)17-23(4)42)16-22(3)34(46)38-24(5)36(48)41(6)31(18-28-27-9-7-8-10-29(27)39-33(28)37)35(47)40-30(19-32(44)45)25-11-13-26(43)14-12-25/h7-15,21-24,30-31,39,42-43H,16-19H2,1-6H3,(H,38,46)(H,40,47)(H,44,45)/b20-15+/t21-,22-,23-,24-,30+,31+/m0/s1
Canonical SMILES:  C[C@@H](C[C@H](/C=C(/C[C@@H](C(=N[C@H](C(=O)N([C@@H](C(=N[C@@H](c1ccc(cc1)O)CC(=O)O)O)Cc1c(Br)[nH]c2c1cccc2)C)C)O)C)C)C)O
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
NPO11484 Jaspis splendens Species Ancorinidae Eukaryota Fiji (S 18°22.28', E 177°58.87') 2000-FEB PMID[21241058]
NPO11484 Jaspis splendens Species Ancorinidae Eukaryota PMID[21241058]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT393 Cell Line HCT-116 Homo sapiens GI50 = 13700 nM 21241058
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 = 2500 nM 21241058
NPT458 Cell Line IGROV-1 Homo sapiens GI50 = 1760 nM 21241058
NPT380 Cell Line U-251 Homo sapiens GI50 = 600 nM 21241058
NPT455 Cell Line NCI-H522 Homo sapiens GI50 = 120 nM 21241058
NPT90 Cell Line DU-145 Homo sapiens GI50 = 18800 nM 21241058
NPT390 Cell Line LOX IMVI Homo sapiens GI50 = 280 nM 21241058
NPT91 Cell Line KB Homo sapiens Inhibition = 30 % 22364566

  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 NPC214142 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
0.995 High Similarity NPC261251
0.9901 High Similarity NPC100547
0.9852 High Similarity NPC223409
0.9852 High Similarity NPC95240
0.9852 High Similarity NPC322135
0.9851 High Similarity NPC124920
0.9851 High Similarity NPC34580
0.9851 High Similarity NPC304307
0.9851 High Similarity NPC118559
0.9804 High Similarity NPC14288
0.9756 High Similarity NPC54803
0.9756 High Similarity NPC321592
0.9614 High Similarity NPC284888
0.9567 High Similarity NPC245055
0.9567 High Similarity NPC33064
0.9431 High Similarity NPC82472
0.9356 High Similarity NPC74969
0.9048 High Similarity NPC24370
0.9048 High Similarity NPC319232
0.8889 High Similarity NPC272549
0.8796 High Similarity NPC323752
0.8796 High Similarity NPC323198
0.875 High Similarity NPC181081
0.845 Intermediate Similarity NPC243716
0.8235 Intermediate Similarity NPC326363
0.8116 Intermediate Similarity NPC306376
0.8089 Intermediate Similarity NPC325976
0.8082 Intermediate Similarity NPC473317
0.8034 Intermediate Similarity NPC314882
0.8028 Intermediate Similarity NPC303658
0.8018 Intermediate Similarity NPC28945
0.8018 Intermediate Similarity NPC330009
0.8009 Intermediate Similarity NPC476098
0.7973 Intermediate Similarity NPC125597
0.7965 Intermediate Similarity NPC220852
0.786 Intermediate Similarity NPC285343
0.7854 Intermediate Similarity NPC469928
0.7851 Intermediate Similarity NPC315467
0.7826 Intermediate Similarity NPC470784
0.7824 Intermediate Similarity NPC478006
0.7824 Intermediate Similarity NPC478158
0.7808 Intermediate Similarity NPC478157
0.7799 Intermediate Similarity NPC276517
0.7788 Intermediate Similarity NPC33949
0.7788 Intermediate Similarity NPC194740
0.7764 Intermediate Similarity NPC153400
0.7746 Intermediate Similarity NPC478009
0.7717 Intermediate Similarity NPC75634
0.7706 Intermediate Similarity NPC184680
0.7703 Intermediate Similarity NPC281049
0.77 Intermediate Similarity NPC249040
0.7672 Intermediate Similarity NPC470785
0.7664 Intermediate Similarity NPC314056
0.7661 Intermediate Similarity NPC162860
0.7658 Intermediate Similarity NPC305984
0.765 Intermediate Similarity NPC270918
0.7639 Intermediate Similarity NPC475816
0.7636 Intermediate Similarity NPC207020
0.7629 Intermediate Similarity NPC184225
0.7617 Intermediate Similarity NPC315491
0.7617 Intermediate Similarity NPC45459
0.7613 Intermediate Similarity NPC322064
0.7602 Intermediate Similarity NPC478010
0.759 Intermediate Similarity NPC478011
0.7581 Intermediate Similarity NPC475506
0.7577 Intermediate Similarity NPC21638
0.7576 Intermediate Similarity NPC473105
0.7571 Intermediate Similarity NPC478013
0.7569 Intermediate Similarity NPC88008
0.7569 Intermediate Similarity NPC54420
0.7566 Intermediate Similarity NPC220851
0.7566 Intermediate Similarity NPC470501
0.756 Intermediate Similarity NPC314176
0.7546 Intermediate Similarity NPC155143
0.7546 Intermediate Similarity NPC476874
0.7545 Intermediate Similarity NPC473041
0.7534 Intermediate Similarity NPC39679
0.7534 Intermediate Similarity NPC152768
0.7534 Intermediate Similarity NPC148183
0.7532 Intermediate Similarity NPC474192
0.7532 Intermediate Similarity NPC475720
0.7531 Intermediate Similarity NPC477635
0.7531 Intermediate Similarity NPC477630
0.7523 Intermediate Similarity NPC469592
0.7523 Intermediate Similarity NPC471080
0.7522 Intermediate Similarity NPC470502
0.752 Intermediate Similarity NPC321939
0.7512 Intermediate Similarity NPC72980
0.7512 Intermediate Similarity NPC165599
0.7511 Intermediate Similarity NPC315804
0.7511 Intermediate Similarity NPC313804
0.7511 Intermediate Similarity NPC477549
0.75 Intermediate Similarity NPC471944
0.7488 Intermediate Similarity NPC293917
0.7477 Intermediate Similarity NPC470500
0.7467 Intermediate Similarity NPC469594
0.7466 Intermediate Similarity NPC5145
0.7464 Intermediate Similarity NPC94752
0.7456 Intermediate Similarity NPC470503
0.7455 Intermediate Similarity NPC183407
0.7454 Intermediate Similarity NPC49196
0.7454 Intermediate Similarity NPC313985
0.7454 Intermediate Similarity NPC195461
0.7454 Intermediate Similarity NPC249150
0.7454 Intermediate Similarity NPC79129
0.7454 Intermediate Similarity NPC81654
0.745 Intermediate Similarity NPC478012
0.7444 Intermediate Similarity NPC54744
0.7442 Intermediate Similarity NPC473640
0.7442 Intermediate Similarity NPC50503
0.7432 Intermediate Similarity NPC23294
0.7427 Intermediate Similarity NPC219336
0.7421 Intermediate Similarity NPC223791
0.7421 Intermediate Similarity NPC107077
0.7416 Intermediate Similarity NPC94943
0.7409 Intermediate Similarity NPC244741
0.7403 Intermediate Similarity NPC311906
0.7397 Intermediate Similarity NPC473376
0.7395 Intermediate Similarity NPC156704
0.7395 Intermediate Similarity NPC262898
0.7393 Intermediate Similarity NPC213629
0.7393 Intermediate Similarity NPC175474
0.7391 Intermediate Similarity NPC91179
0.7389 Intermediate Similarity NPC96321
0.7389 Intermediate Similarity NPC264285
0.7387 Intermediate Similarity NPC303951
0.7382 Intermediate Similarity NPC200553
0.7382 Intermediate Similarity NPC279189
0.7382 Intermediate Similarity NPC89987
0.738 Intermediate Similarity NPC64216
0.7379 Intermediate Similarity NPC183662
0.7379 Intermediate Similarity NPC15573
0.7379 Intermediate Similarity NPC217372
0.7373 Intermediate Similarity NPC474183
0.7373 Intermediate Similarity NPC213308
0.7371 Intermediate Similarity NPC99666
0.7368 Intermediate Similarity NPC190007
0.7368 Intermediate Similarity NPC60621
0.7366 Intermediate Similarity NPC477610
0.7361 Intermediate Similarity NPC102008
0.7361 Intermediate Similarity NPC52557
0.7354 Intermediate Similarity NPC87413
0.7349 Intermediate Similarity NPC179701
0.7347 Intermediate Similarity NPC475746
0.7345 Intermediate Similarity NPC312645
0.7342 Intermediate Similarity NPC476116
0.7336 Intermediate Similarity NPC478141
0.733 Intermediate Similarity NPC53344
0.7328 Intermediate Similarity NPC471762
0.7327 Intermediate Similarity NPC100321
0.7324 Intermediate Similarity NPC117244
0.7324 Intermediate Similarity NPC473763
0.7321 Intermediate Similarity NPC212535
0.7319 Intermediate Similarity NPC97902
0.7317 Intermediate Similarity NPC216369
0.7309 Intermediate Similarity NPC471304
0.7308 Intermediate Similarity NPC469896
0.7306 Intermediate Similarity NPC193761
0.7304 Intermediate Similarity NPC51388
0.7301 Intermediate Similarity NPC3207
0.7297 Intermediate Similarity NPC210828
0.7297 Intermediate Similarity NPC475910
0.7297 Intermediate Similarity NPC86834
0.7293 Intermediate Similarity NPC474896
0.7289 Intermediate Similarity NPC89508
0.7288 Intermediate Similarity NPC162002
0.7285 Intermediate Similarity NPC277350
0.7284 Intermediate Similarity NPC186351
0.7284 Intermediate Similarity NPC470126
0.7281 Intermediate Similarity NPC171317
0.7277 Intermediate Similarity NPC320968
0.7269 Intermediate Similarity NPC293151
0.7264 Intermediate Similarity NPC46580
0.7261 Intermediate Similarity NPC16352
0.7261 Intermediate Similarity NPC31097
0.7261 Intermediate Similarity NPC469734
0.726 Intermediate Similarity NPC300183
0.7259 Intermediate Similarity NPC477633
0.7257 Intermediate Similarity NPC50562
0.7257 Intermediate Similarity NPC118228
0.7257 Intermediate Similarity NPC477979
0.7257 Intermediate Similarity NPC15801
0.7253 Intermediate Similarity NPC253580
0.7252 Intermediate Similarity NPC183777
0.7246 Intermediate Similarity NPC174489
0.7244 Intermediate Similarity NPC12344
0.724 Intermediate Similarity NPC475070
0.724 Intermediate Similarity NPC242872
0.724 Intermediate Similarity NPC470505
0.724 Intermediate Similarity NPC125181
0.724 Intermediate Similarity NPC263117
0.7235 Intermediate Similarity NPC141454
0.7235 Intermediate Similarity NPC243834
0.7235 Intermediate Similarity NPC70956
0.7234 Intermediate Similarity NPC63031
0.7233 Intermediate Similarity NPC474409
0.7232 Intermediate Similarity NPC234999
0.723 Intermediate Similarity NPC111602
0.723 Intermediate Similarity NPC102338
0.723 Intermediate Similarity NPC63199

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC214142 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
0.8538 High Similarity NPD8405 Clinical (unspecified phase)
0.7964 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD7603 Discontinued
0.7834 Intermediate Similarity NPD7470 Discontinued
0.7725 Intermediate Similarity NPD7948 Phase 1
0.7617 Intermediate Similarity NPD484 Approved
0.7596 Intermediate Similarity NPD6141 Clinical (unspecified phase)
0.7488 Intermediate Similarity NPD7621 Clinical (unspecified phase)
0.7465 Intermediate Similarity NPD7944 Discontinued
0.7457 Intermediate Similarity NPD4885 Approved
0.7456 Intermediate Similarity NPD7716 Approved
0.7456 Intermediate Similarity NPD7717 Approved
0.7455 Intermediate Similarity NPD2916 Discontinued
0.7454 Intermediate Similarity NPD4601 Approved
0.7454 Intermediate Similarity NPD4600 Approved
0.7444 Intermediate Similarity NPD3243 Approved
0.7422 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7409 Intermediate Similarity NPD8322 Phase 2
0.7395 Intermediate Similarity NPD5003 Discontinued
0.7389 Intermediate Similarity NPD7878 Phase 2
0.7376 Intermediate Similarity NPD6376 Discontinued
0.7361 Intermediate Similarity NPD53 Approved
0.7361 Intermediate Similarity NPD7778 Approved
0.7361 Intermediate Similarity NPD7777 Approved
0.7336 Intermediate Similarity NPD8356 Approved
0.7333 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD6838 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD8093 Discontinued
0.7318 Intermediate Similarity NPD8272 Phase 2
0.7285 Intermediate Similarity NPD3003 Approved
0.7284 Intermediate Similarity NPD8430 Approved
0.7277 Intermediate Similarity NPD8013 Clinical (unspecified phase)
0.7269 Intermediate Similarity NPD8016 Phase 3
0.7269 Intermediate Similarity NPD8017 Clinical (unspecified phase)
0.7269 Intermediate Similarity NPD8406 Clinical (unspecified phase)
0.7269 Intermediate Similarity NPD6449 Clinical (unspecified phase)
0.7264 Intermediate Similarity NPD2383 Phase 1
0.7257 Intermediate Similarity NPD8112 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD7710 Clinical (unspecified phase)
0.7252 Intermediate Similarity NPD8493 Clinical (unspecified phase)
0.724 Intermediate Similarity NPD8114 Approved
0.724 Intermediate Similarity NPD8115 Approved
0.724 Intermediate Similarity NPD7712 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD5632 Approved
0.7236 Intermediate Similarity NPD8255 Phase 2
0.7232 Intermediate Similarity NPD7998 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD7809 Clinical (unspecified phase)
0.7224 Intermediate Similarity NPD8463 Approved
0.7222 Intermediate Similarity NPD8363 Approved
0.7222 Intermediate Similarity NPD8364 Approved
0.722 Intermediate Similarity NPD7947 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD7853 Phase 2
0.7208 Intermediate Similarity NPD6517 Phase 3
0.7207 Intermediate Similarity NPD7957 Phase 1
0.7207 Intermediate Similarity NPD7958 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD5040 Clinical (unspecified phase)
0.7195 Intermediate Similarity NPD6176 Phase 1
0.7182 Intermediate Similarity NPD7817 Phase 1
0.7181 Intermediate Similarity NPD4897 Phase 2
0.7176 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD2175 Phase 3
0.7169 Intermediate Similarity NPD2176 Approved
0.7169 Intermediate Similarity NPD2177 Approved
0.7168 Intermediate Similarity NPD7594 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD8365 Clinical (unspecified phase)
0.7162 Intermediate Similarity NPD8109 Clinical (unspecified phase)
0.7149 Intermediate Similarity NPD5612 Discontinued
0.7137 Intermediate Similarity NPD8094 Discontinued
0.7137 Intermediate Similarity NPD7268 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD4500 Approved
0.7136 Intermediate Similarity NPD4501 Approved
0.713 Intermediate Similarity NPD6665 Discontinued
0.7119 Intermediate Similarity NPD8106 Phase 2
0.7117 Intermediate Similarity NPD8072 Approved
0.7116 Intermediate Similarity NPD4499 Approved
0.711 Intermediate Similarity NPD5512 Phase 3
0.7104 Intermediate Similarity NPD7727 Phase 2
0.7104 Intermediate Similarity NPD4511 Phase 1
0.7103 Intermediate Similarity NPD4948 Discontinued
0.7091 Intermediate Similarity NPD3814 Phase 1
0.7087 Intermediate Similarity NPD2844 Phase 3
0.7085 Intermediate Similarity NPD5901 Discontinued
0.708 Intermediate Similarity NPD4900 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD8460 Approved
0.7077 Intermediate Similarity NPD8459 Approved
0.7076 Intermediate Similarity NPD7589 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD2094 Phase 2
0.7075 Intermediate Similarity NPD2092 Phase 2
0.7075 Intermediate Similarity NPD2095 Phase 2
0.707 Intermediate Similarity NPD6965 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD5658 Approved
0.7064 Intermediate Similarity NPD3259 Approved
0.7064 Intermediate Similarity NPD7994 Phase 2
0.7062 Intermediate Similarity NPD6452 Discontinued
0.7056 Intermediate Similarity NPD7194 Discontinued
0.7054 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD1326 Approved
0.7053 Intermediate Similarity NPD1325 Approved
0.7048 Intermediate Similarity NPD5939 Approved
0.7048 Intermediate Similarity NPD5936 Approved
0.7045 Intermediate Similarity NPD7946 Pre-registration
0.7042 Intermediate Similarity NPD2091 Phase 2
0.7042 Intermediate Similarity NPD2096 Phase 2
0.704 Intermediate Similarity NPD7955 Approved
0.704 Intermediate Similarity NPD7956 Approved
0.7037 Intermediate Similarity NPD2564 Approved
0.7037 Intermediate Similarity NPD2565 Phase 2
0.7033 Intermediate Similarity NPD482 Approved
0.7031 Intermediate Similarity NPD7971 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD5902 Approved
0.7031 Intermediate Similarity NPD5903 Approved
0.7031 Intermediate Similarity NPD7970 Approved
0.7027 Intermediate Similarity NPD7903 Clinical (unspecified phase)
0.7022 Intermediate Similarity NPD7452 Approved
0.7022 Intermediate Similarity NPD7453 Approved
0.7022 Intermediate Similarity NPD7222 Phase 2
0.7021 Intermediate Similarity NPD7711 Discontinued
0.702 Intermediate Similarity NPD8358 Approved
0.7014 Intermediate Similarity NPD8395 Approved
0.7014 Intermediate Similarity NPD8396 Approved
0.7014 Intermediate Similarity NPD1768 Approved
0.7009 Intermediate Similarity NPD7547 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD8098 Approved
0.7008 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.6996 Remote Similarity NPD5507 Approved
0.6996 Remote Similarity NPD8073 Approved
0.6996 Remote Similarity NPD6716 Phase 1
0.6996 Remote Similarity NPD5506 Approved
0.6995 Remote Similarity NPD5596 Phase 2
0.6988 Remote Similarity NPD8467 Approved
0.6988 Remote Similarity NPD8427 Approved
0.6988 Remote Similarity NPD8466 Approved
0.6988 Remote Similarity NPD8465 Approved
0.6988 Remote Similarity NPD8428 Approved
0.6988 Remote Similarity NPD8429 Approved
0.6987 Remote Similarity NPD7558 Phase 2
0.6987 Remote Similarity NPD7790 Approved
0.6987 Remote Similarity NPD4373 Phase 2
0.6987 Remote Similarity NPD7952 Approved
0.6987 Remote Similarity NPD7950 Approved
0.6987 Remote Similarity NPD7953 Approved
0.6987 Remote Similarity NPD7789 Approved
0.6987 Remote Similarity NPD7951 Approved
0.6987 Remote Similarity NPD7791 Approved
0.6986 Remote Similarity NPD7618 Phase 3
0.6986 Remote Similarity NPD4418 Discontinued
0.6986 Remote Similarity NPD7619 Phase 3
0.6981 Remote Similarity NPD5445 Approved
0.6981 Remote Similarity NPD5899 Approved
0.6981 Remote Similarity NPD5897 Approved
0.6981 Remote Similarity NPD5898 Approved
0.698 Remote Similarity NPD8359 Phase 2
0.6978 Remote Similarity NPD4901 Clinical (unspecified phase)
0.6975 Remote Similarity NPD7688 Phase 1
0.6974 Remote Similarity NPD4502 Phase 2
0.6966 Remote Similarity NPD6160 Clinical (unspecified phase)
0.696 Remote Similarity NPD4520 Approved
0.6957 Remote Similarity NPD5417 Clinical (unspecified phase)
0.6949 Remote Similarity NPD7426 Phase 1
0.6949 Remote Similarity NPD8289 Discontinued
0.6947 Remote Similarity NPD6290 Phase 2
0.6946 Remote Similarity NPD7797 Approved
0.6946 Remote Similarity NPD7796 Approved
0.6944 Remote Similarity NPD7708 Approved
0.6943 Remote Similarity NPD8096 Phase 3
0.6943 Remote Similarity NPD8097 Phase 3
0.6937 Remote Similarity NPD4118 Clinical (unspecified phase)
0.6935 Remote Similarity NPD7181 Phase 3
0.6933 Remote Similarity NPD4952 Phase 3
0.6933 Remote Similarity NPD3946 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7726 Phase 1
0.692 Remote Similarity NPD8247 Approved
0.692 Remote Similarity NPD7731 Approved
0.692 Remote Similarity NPD8292 Phase 2
0.692 Remote Similarity NPD4086 Phase 1
0.692 Remote Similarity NPD7730 Approved
0.692 Remote Similarity NPD8246 Approved
0.691 Remote Similarity NPD6770 Approved
0.6909 Remote Similarity NPD3324 Clinical (unspecified phase)
0.6905 Remote Similarity NPD750 Phase 2
0.6904 Remote Similarity NPD7284 Clinical (unspecified phase)
0.6903 Remote Similarity NPD8403 Phase 1
0.6903 Remote Similarity NPD7001 Phase 3
0.6902 Remote Similarity NPD7803 Approved
0.6897 Remote Similarity NPD5164 Discontinued
0.6895 Remote Similarity NPD5482 Discontinued
0.6892 Remote Similarity NPD7889 Clinical (unspecified phase)
0.6891 Remote Similarity NPD7781 Approved
0.6891 Remote Similarity NPD7780 Approved
0.6891 Remote Similarity NPD5559 Phase 2
0.6889 Remote Similarity NPD6991 Approved
0.6882 Remote Similarity NPD8425 Approved
0.6882 Remote Similarity NPD8426 Approved
0.6878 Remote Similarity NPD3263 Phase 3
0.6875 Remote Similarity NPD5151 Clinical (unspecified phase)
0.687 Remote Similarity NPD6657 Clinical (unspecified phase)
0.6867 Remote Similarity NPD6985 Discontinued

Structure

External Identifiers

PubChem CID   54587134
ChEMBL   CHEMBL1765401
ZINC  

Physicochemical Properties

Molecular Weight:  726.26
ALogP:  0.0606
MLogP:  4.1
XLogP:  5.62
# Rotatable Bonds:  29
Polar Surface Area:  179.04
# H-Bond Aceptor:  10
# H-Bond Donor:  6
# Rings:  3
# Heavy Atoms:  48

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Biological Activities  
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