Natural Product: NPC473322

Natural Product ID:  NPC473322
Common Name:   Cordyheptapeptide B
IUPAC Name:   (3R,6S,9S,12S,15S,21S)-3,12,15-tribenzyl-9-[(2S)-butan-2-yl]-13,19-dimethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
Synonyms:  
Molecular Formula:   C48H63N7O7
Standard InCHIKey:  NSZUJVVKWIRXHM-UBPPXWMASA-N
Standard InCHI:  InChI=1S/C48H63N7O7/c1-7-32(4)42-45(59)50-36(26-31(2)3)43(57)51-38(28-34-20-13-9-14-21-34)47(61)55-25-17-24-39(55)48(62)53(5)30-41(56)49-37(27-33-18-11-8-12-19-33)46(60)54(6)40(44(58)52-42)29-35-22-15-10-16-23-35/h8-16,18-23,31-32,36-40,42H,7,17,24-30H2,1-6H3,(H,49,56)(H,50,59)(H,51,57)(H,52,58)/t32-,36-,37-,38+,39-,40-,42-/m0/s1
Canonical SMILES:  CC[C@@H]([C@@H]1N=C(O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N=C(O)CN(C(=O)[C@H]2N(C(=O)[C@H](N=C([C@@H](N=C1O)CC(C)C)O)Cc1ccccc1)CCC2)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
NPO32515 Cordyceps sp. Under-species NA NA PMID[17887724]
NPO32514 Cordyceps sp. Under-species NA NA PMID[17887724]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Inhibition < 50 % 12762806
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 1600 nM 19258276
NPT639 Cell Line NCI-H187 Homo sapiens IC50 = 3100 nM 19258276
NPT2 Others Unspecified IC50 = 660 nM 19258276
NPT91 Cell Line KB Homo sapiens IC50 = 2000 nM 19258276

  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 NPC473322 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
0.9516 High Similarity NPC255447
0.9167 High Similarity NPC470546
0.9083 High Similarity NPC470545
0.9048 High Similarity NPC111428
0.9016 High Similarity NPC200964
0.9 High Similarity NPC470544
0.8828 High Similarity NPC200589
0.8731 High Similarity NPC161069
0.8661 High Similarity NPC101719
0.8651 High Similarity NPC6975
0.864 High Similarity NPC71684
0.8633 High Similarity NPC233702
0.8615 High Similarity NPC130309
0.8583 High Similarity NPC222466
0.8492 Intermediate Similarity NPC202521
0.8478 Intermediate Similarity NPC138775
0.8467 Intermediate Similarity NPC209509
0.8413 Intermediate Similarity NPC476990
0.8387 Intermediate Similarity NPC239357
0.8387 Intermediate Similarity NPC14672
0.8387 Intermediate Similarity NPC315276
0.8387 Intermediate Similarity NPC285926
0.8382 Intermediate Similarity NPC269398
0.8382 Intermediate Similarity NPC263493
0.8374 Intermediate Similarity NPC33742
0.837 Intermediate Similarity NPC132636
0.8359 Intermediate Similarity NPC46427
0.8293 Intermediate Similarity NPC35850
0.8293 Intermediate Similarity NPC276949
0.8281 Intermediate Similarity NPC252878
0.8273 Intermediate Similarity NPC262077
0.8258 Intermediate Similarity NPC300315
0.8219 Intermediate Similarity NPC473003
0.8214 Intermediate Similarity NPC16188
0.8182 Intermediate Similarity NPC122590
0.8154 Intermediate Similarity NPC22746
0.8148 Intermediate Similarity NPC248283
0.8106 Intermediate Similarity NPC319766
0.8102 Intermediate Similarity NPC476133
0.8102 Intermediate Similarity NPC92784
0.8102 Intermediate Similarity NPC98424
0.8102 Intermediate Similarity NPC470884
0.8102 Intermediate Similarity NPC178662
0.8074 Intermediate Similarity NPC287401
0.8071 Intermediate Similarity NPC5620
0.8029 Intermediate Similarity NPC127741
0.8029 Intermediate Similarity NPC471264
0.8029 Intermediate Similarity NPC471265
0.8 Intermediate Similarity NPC476978
0.8 Intermediate Similarity NPC52748
0.7972 Intermediate Similarity NPC2501
0.7971 Intermediate Similarity NPC89489
0.7958 Intermediate Similarity NPC329761
0.7958 Intermediate Similarity NPC225648
0.7947 Intermediate Similarity NPC141957
0.7945 Intermediate Similarity NPC469903
0.7943 Intermediate Similarity NPC316008
0.7943 Intermediate Similarity NPC313867
0.7939 Intermediate Similarity NPC474082
0.7939 Intermediate Similarity NPC175726
0.7931 Intermediate Similarity NPC202198
0.7914 Intermediate Similarity NPC163392
0.7914 Intermediate Similarity NPC239762
0.7895 Intermediate Similarity NPC469904
0.7887 Intermediate Similarity NPC314358
0.7877 Intermediate Similarity NPC473002
0.7872 Intermediate Similarity NPC314388
0.7872 Intermediate Similarity NPC315283
0.7857 Intermediate Similarity NPC476989
0.7852 Intermediate Similarity NPC469902
0.7847 Intermediate Similarity NPC254798
0.7847 Intermediate Similarity NPC129666
0.7836 Intermediate Similarity NPC239990
0.7836 Intermediate Similarity NPC152850
0.7836 Intermediate Similarity NPC71933
0.7836 Intermediate Similarity NPC105114
0.7836 Intermediate Similarity NPC89923
0.7832 Intermediate Similarity NPC145113
0.7829 Intermediate Similarity NPC220698
0.7817 Intermediate Similarity NPC315266
0.7801 Intermediate Similarity NPC139326
0.7787 Intermediate Similarity NPC473418
0.7778 Intermediate Similarity NPC471820
0.7778 Intermediate Similarity NPC471821
0.7778 Intermediate Similarity NPC105717
0.7761 Intermediate Similarity NPC136453
0.7761 Intermediate Similarity NPC477937
0.7712 Intermediate Similarity NPC328649
0.7692 Intermediate Similarity NPC322878
0.7692 Intermediate Similarity NPC317725
0.7692 Intermediate Similarity NPC326407
0.7676 Intermediate Similarity NPC197682
0.7664 Intermediate Similarity NPC157311
0.766 Intermediate Similarity NPC476259
0.7655 Intermediate Similarity NPC240848
0.7643 Intermediate Similarity NPC68865
0.7638 Intermediate Similarity NPC474584
0.7626 Intermediate Similarity NPC141050
0.7609 Intermediate Similarity NPC44805
0.7609 Intermediate Similarity NPC8761
0.7606 Intermediate Similarity NPC168113
0.76 Intermediate Similarity NPC197743
0.76 Intermediate Similarity NPC297145
0.7595 Intermediate Similarity NPC473001
0.7582 Intermediate Similarity NPC63931
0.7582 Intermediate Similarity NPC223207
0.7568 Intermediate Similarity NPC5194
0.7568 Intermediate Similarity NPC261934
0.7568 Intermediate Similarity NPC286551
0.7568 Intermediate Similarity NPC262166
0.7566 Intermediate Similarity NPC241794
0.7552 Intermediate Similarity NPC176226
0.7551 Intermediate Similarity NPC473491
0.7535 Intermediate Similarity NPC307357
0.7535 Intermediate Similarity NPC46098
0.7535 Intermediate Similarity NPC268841
0.7532 Intermediate Similarity NPC471771
0.7532 Intermediate Similarity NPC290755
0.7532 Intermediate Similarity NPC304074
0.7518 Intermediate Similarity NPC469666
0.7516 Intermediate Similarity NPC471053
0.7516 Intermediate Similarity NPC137627
0.7516 Intermediate Similarity NPC471052
0.7516 Intermediate Similarity NPC471051
0.75 Intermediate Similarity NPC162104
0.75 Intermediate Similarity NPC475439
0.75 Intermediate Similarity NPC473501
0.7483 Intermediate Similarity NPC324850
0.7483 Intermediate Similarity NPC283783
0.7483 Intermediate Similarity NPC469427
0.7483 Intermediate Similarity NPC469426
0.7481 Intermediate Similarity NPC169328
0.748 Intermediate Similarity NPC319579
0.7468 Intermediate Similarity NPC136797
0.7466 Intermediate Similarity NPC135121
0.7465 Intermediate Similarity NPC313694
0.7465 Intermediate Similarity NPC242159
0.745 Intermediate Similarity NPC473341
0.7448 Intermediate Similarity NPC477217
0.7448 Intermediate Similarity NPC471680
0.7448 Intermediate Similarity NPC201244
0.7444 Intermediate Similarity NPC27833
0.744 Intermediate Similarity NPC45033
0.7434 Intermediate Similarity NPC287757
0.7434 Intermediate Similarity NPC319320
0.7426 Intermediate Similarity NPC47667
0.7424 Intermediate Similarity NPC310467
0.7417 Intermediate Similarity NPC25565
0.7386 Intermediate Similarity NPC471527
0.7386 Intermediate Similarity NPC469243
0.7372 Intermediate Similarity NPC302597
0.7358 Intermediate Similarity NPC318930
0.7358 Intermediate Similarity NPC26108
0.7358 Intermediate Similarity NPC155506
0.7358 Intermediate Similarity NPC159767
0.7358 Intermediate Similarity NPC317362
0.7357 Intermediate Similarity NPC246079
0.7357 Intermediate Similarity NPC257390
0.7357 Intermediate Similarity NPC246913
0.7347 Intermediate Similarity NPC311658
0.7333 Intermediate Similarity NPC56685
0.732 Intermediate Similarity NPC469898
0.732 Intermediate Similarity NPC104345
0.7315 Intermediate Similarity NPC7817
0.7315 Intermediate Similarity NPC475168
0.7312 Intermediate Similarity NPC196243
0.731 Intermediate Similarity NPC468984
0.731 Intermediate Similarity NPC77905
0.7299 Intermediate Similarity NPC4974
0.7296 Intermediate Similarity NPC475532
0.729 Intermediate Similarity NPC191863
0.729 Intermediate Similarity NPC289776
0.729 Intermediate Similarity NPC133470
0.7273 Intermediate Similarity NPC475544
0.7273 Intermediate Similarity NPC469901
0.725 Intermediate Similarity NPC165285
0.725 Intermediate Similarity NPC477462
0.7236 Intermediate Similarity NPC12730
0.7234 Intermediate Similarity NPC325479
0.7233 Intermediate Similarity NPC89831
0.7233 Intermediate Similarity NPC230611
0.7213 Intermediate Similarity NPC311242
0.7208 Intermediate Similarity NPC244336
0.7197 Intermediate Similarity NPC61004
0.7188 Intermediate Similarity NPC306804
0.7185 Intermediate Similarity NPC478016
0.7185 Intermediate Similarity NPC478015
0.7185 Intermediate Similarity NPC477061
0.7185 Intermediate Similarity NPC45777
0.7185 Intermediate Similarity NPC478014
0.7183 Intermediate Similarity NPC244866
0.7171 Intermediate Similarity NPC470902
0.717 Intermediate Similarity NPC274198
0.717 Intermediate Similarity NPC198254
0.7165 Intermediate Similarity NPC327481
0.7164 Intermediate Similarity NPC237420
0.7162 Intermediate Similarity NPC314114
0.7154 Intermediate Similarity NPC322598
0.7153 Intermediate Similarity NPC35996
0.7153 Intermediate Similarity NPC43755

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473322 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
0.8672 High Similarity NPD5339 Clinical (unspecified phase)
0.8321 Intermediate Similarity NPD7720 Phase 2
0.8296 Intermediate Similarity NPD8173 Phase 2
0.8296 Intermediate Similarity NPD8172 Phase 2
0.8222 Intermediate Similarity NPD8643 Discontinued
0.8214 Intermediate Similarity NPD8323 Discontinued
0.8175 Intermediate Similarity NPD7728 Clinical (unspecified phase)
0.8168 Intermediate Similarity NPD2585 Clinical (unspecified phase)
0.812 Intermediate Similarity NPD7979 Clinical (unspecified phase)
0.8088 Intermediate Similarity NPD7113 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD4706 Clinical (unspecified phase)
0.7985 Intermediate Similarity NPD5263 Approved
0.7985 Intermediate Similarity NPD4125 Approved
0.7958 Intermediate Similarity NPD7602 Clinical (unspecified phase)
0.7943 Intermediate Similarity NPD6860 Clinical (unspecified phase)
0.7939 Intermediate Similarity NPD3071 Approved
0.7939 Intermediate Similarity NPD3073 Approved
0.7939 Intermediate Similarity NPD2584 Suspended
0.7939 Intermediate Similarity NPD3072 Approved
0.7899 Intermediate Similarity NPD4782 Clinical (unspecified phase)
0.7883 Intermediate Similarity NPD8416 Discontinued
0.7883 Intermediate Similarity NPD4791 Clinical (unspecified phase)
0.7879 Intermediate Similarity NPD4677 Discontinued
0.7877 Intermediate Similarity NPD8315 Phase 1
0.7863 Intermediate Similarity NPD4761 Approved
0.7863 Intermediate Similarity NPD4762 Approved
0.7836 Intermediate Similarity NPD3608 Clinical (unspecified phase)
0.782 Intermediate Similarity NPD6792 Phase 3
0.777 Intermediate Similarity NPD6073 Approved
0.7769 Intermediate Similarity NPD4504 Clinical (unspecified phase)
0.7746 Intermediate Similarity NPD5341 Clinical (unspecified phase)
0.7721 Intermediate Similarity NPD4676 Approved
0.7655 Intermediate Similarity NPD8290 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD4177 Approved
0.7647 Intermediate Similarity NPD4175 Approved
0.7647 Intermediate Similarity NPD5759 Approved
0.7609 Intermediate Similarity NPD5581 Approved
0.7586 Intermediate Similarity NPD6552 Clinical (unspecified phase)
0.7552 Intermediate Similarity NPD8076 Discontinued
0.7536 Intermediate Similarity NPD6919 Clinical (unspecified phase)
0.7518 Intermediate Similarity NPD5725 Approved
0.7518 Intermediate Similarity NPD3040 Approved
0.7516 Intermediate Similarity NPD8351 Phase 2
0.75 Intermediate Similarity NPD6623 Phase 3
0.7482 Intermediate Similarity NPD3632 Clinical (unspecified phase)
0.748 Intermediate Similarity NPD3642 Approved
0.748 Intermediate Similarity NPD3643 Approved
0.748 Intermediate Similarity NPD3644 Approved
0.7465 Intermediate Similarity NPD6901 Phase 3
0.744 Intermediate Similarity NPD7130 Phase 3
0.7431 Intermediate Similarity NPD2022 Approved
0.7429 Intermediate Similarity NPD3561 Clinical (unspecified phase)
0.7426 Intermediate Similarity NPD2031 Discontinued
0.7413 Intermediate Similarity NPD5301 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD21 Approved
0.741 Intermediate Similarity NPD2048 Approved
0.741 Intermediate Similarity NPD2051 Approved
0.741 Intermediate Similarity NPD2049 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD2044 Approved
0.741 Intermediate Similarity NPD2050 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD2046 Approved
0.741 Intermediate Similarity NPD2043 Approved
0.741 Intermediate Similarity NPD2047 Approved
0.741 Intermediate Similarity NPD2045 Approved
0.7391 Intermediate Similarity NPD3626 Phase 3
0.7383 Intermediate Similarity NPD7613 Discontinued
0.7379 Intermediate Similarity NPD2437 Approved
0.7379 Intermediate Similarity NPD2436 Approved
0.7376 Intermediate Similarity NPD8265 Approved
0.7376 Intermediate Similarity NPD5323 Approved
0.7368 Intermediate Similarity NPD7118 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD6631 Clinical (unspecified phase)
0.7357 Intermediate Similarity NPD1330 Phase 2
0.7357 Intermediate Similarity NPD1329 Clinical (unspecified phase)
0.7343 Intermediate Similarity NPD6852 Discontinued
0.7343 Intermediate Similarity NPD6294 Approved
0.7343 Intermediate Similarity NPD6295 Approved
0.7324 Intermediate Similarity NPD4757 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD2087 Approved
0.731 Intermediate Similarity NPD2088 Approved
0.7308 Intermediate Similarity NPD3598 Phase 3
0.7305 Intermediate Similarity NPD7634 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD941 Approved
0.7299 Intermediate Similarity NPD5577 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD5578 Approved
0.7293 Intermediate Similarity NPD6343 Approved
0.7293 Intermediate Similarity NPD6345 Approved
0.7273 Intermediate Similarity NPD7679 Phase 2
0.7267 Intermediate Similarity NPD8362 Clinical (unspecified phase)
0.7254 Intermediate Similarity NPD4153 Approved
0.7248 Intermediate Similarity NPD5613 Approved
0.7248 Intermediate Similarity NPD6088 Approved
0.7248 Intermediate Similarity NPD7892 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD5614 Approved
0.7244 Intermediate Similarity NPD6038 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD7511 Approved
0.7241 Intermediate Similarity NPD7450 Phase 2
0.7241 Intermediate Similarity NPD6897 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD7512 Approved
0.7234 Intermediate Similarity NPD5299 Approved
0.7234 Intermediate Similarity NPD2078 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD4126 Approved
0.7218 Intermediate Similarity NPD5990 Approved
0.7218 Intermediate Similarity NPD5991 Approved
0.7208 Intermediate Similarity NPD7011 Discontinued
0.7203 Intermediate Similarity NPD3908 Approved
0.72 Intermediate Similarity NPD4432 Discontinued
0.7194 Intermediate Similarity NPD4151 Approved
0.7194 Intermediate Similarity NPD3588 Discontinued
0.719 Intermediate Similarity NPD7267 Clinical (unspecified phase)
0.7183 Intermediate Similarity NPD7086 Phase 2
0.7183 Intermediate Similarity NPD5747 Discontinued
0.7174 Intermediate Similarity NPD3125 Approved
0.7174 Intermediate Similarity NPD5367 Discontinued
0.7163 Intermediate Similarity NPD4497 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD7599 Phase 2
0.7153 Intermediate Similarity NPD5108 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7828 Discontinued
0.7133 Intermediate Similarity NPD3988 Approved
0.7133 Intermediate Similarity NPD3987 Approved
0.7126 Intermediate Similarity NPD8103 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD3551 Approved
0.7115 Intermediate Similarity NPD7080 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD7600 Phase 2
0.7099 Intermediate Similarity NPD480 Approved
0.7099 Intermediate Similarity NPD8022 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD6359 Clinical (unspecified phase)
0.709 Intermediate Similarity NPD3806 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD999 Phase 2
0.7071 Intermediate Similarity NPD3604 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD3480 Approved
0.7047 Intermediate Similarity NPD1968 Approved
0.7047 Intermediate Similarity NPD1967 Approved
0.7034 Intermediate Similarity NPD8125 Discontinued
0.7034 Intermediate Similarity NPD7510 Approved
0.7034 Intermediate Similarity NPD5004 Approved
0.7029 Intermediate Similarity NPD6408 Phase 1
0.7027 Intermediate Similarity NPD6681 Discovery
0.7014 Intermediate Similarity NPD5296 Approved
0.7012 Intermediate Similarity NPD7771 Discontinued
0.7007 Intermediate Similarity NPD5187 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3581 Discontinued
0.6993 Remote Similarity NPD2846 Clinical (unspecified phase)
0.6993 Remote Similarity NPD8352 Phase 1
0.6993 Remote Similarity NPD7131 Phase 3
0.6992 Remote Similarity NPD747 Discontinued
0.6985 Remote Similarity NPD5981 Approved
0.6981 Remote Similarity NPD8303 Discontinued
0.698 Remote Similarity NPD5264 Approved
0.698 Remote Similarity NPD5265 Approved
0.6968 Remote Similarity NPD8417 Discontinued
0.6963 Remote Similarity NPD7522 Discontinued
0.6944 Remote Similarity NPD8118 Discontinued
0.694 Remote Similarity NPD1348 Approved
0.6934 Remote Similarity NPD6806 Phase 1
0.6933 Remote Similarity NPD6676 Phase 2
0.6928 Remote Similarity NPD5230 Approved
0.6928 Remote Similarity NPD5229 Approved
0.6923 Remote Similarity NPD4794 Discontinued
0.6918 Remote Similarity NPD6817 Clinical (unspecified phase)
0.6908 Remote Similarity NPD8165 Discontinued
0.6905 Remote Similarity NPD4760 Clinical (unspecified phase)
0.6889 Remote Similarity NPD3123 Discovery
0.6879 Remote Similarity NPD8630 Approved
0.6879 Remote Similarity NPD6302 Clinical (unspecified phase)
0.6867 Remote Similarity NPD5024 Approved
0.6839 Remote Similarity NPD4646 Approved
0.6839 Remote Similarity NPD4648 Approved
0.6839 Remote Similarity NPD4647 Approved
0.6824 Remote Similarity NPD6655 Clinical (unspecified phase)
0.6822 Remote Similarity NPD5717 Approved
0.6818 Remote Similarity NPD5748 Phase 2
0.6818 Remote Similarity NPD7303 Discontinued
0.6812 Remote Similarity NPD7342 Discontinued
0.6809 Remote Similarity NPD6325 Discontinued
0.6807 Remote Similarity NPD7695 Clinical (unspecified phase)
0.679 Remote Similarity NPD7484 Phase 3
0.679 Remote Similarity NPD7485 Phase 3
0.6788 Remote Similarity NPD998 Approved
0.6788 Remote Similarity NPD2218 Phase 2
0.6788 Remote Similarity NPD2217 Approved
0.6765 Remote Similarity NPD1344 Phase 2
0.6763 Remote Similarity NPD2956 Clinical (unspecified phase)
0.6757 Remote Similarity NPD4214 Discontinued
0.6748 Remote Similarity NPD7968 Clinical (unspecified phase)
0.6748 Remote Similarity NPD6690 Approved
0.6746 Remote Similarity NPD466 Approved
0.673 Remote Similarity NPD4566 Approved
0.673 Remote Similarity NPD4567 Approved
0.6719 Remote Similarity NPD4803 Discontinued
0.6719 Remote Similarity NPD6588 Clinical (unspecified phase)
0.6711 Remote Similarity NPD5298 Clinical (unspecified phase)
0.6705 Remote Similarity NPD8240 Discontinued
0.6692 Remote Similarity NPD1018 Approved
0.6692 Remote Similarity NPD4254 Approved
0.6692 Remote Similarity NPD1040 Phase 2
0.6692 Remote Similarity NPD4253 Approved
0.6691 Remote Similarity NPD7508 Discontinued
0.6688 Remote Similarity NPD2016 Approved
0.6688 Remote Similarity NPD2013 Approved

Structure

External Identifiers

PubChem CID   44445337
ChEMBL   CHEMBL400242
ZINC  

Physicochemical Properties

Molecular Weight:  849.48
ALogP:  -2.8226
MLogP:  5.2
XLogP:  11.043
# Rotatable Bonds:  20
Polar Surface Area:  191.29
# H-Bond Aceptor:  14
# H-Bond Donor:  4
# Rings:  5
# Heavy Atoms:  62

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Biological Activities  
Similar NPs/Drugs