Natural Product: NPC71933

Natural Product ID:  NPC71933
Common Name:   Beauvericin
IUPAC Name:   (3R,6S,9R,12S,15R,18S)-3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Synonyms:   Beauvericin
Molecular Formula:   C45H57N3O9
Standard InCHIKey:  GYSCAQFHASJXRS-WXWJZEDASA-N
Standard InCHI:  InChI=1S/C45H57N3O9/c1-28(2)37-40(49)46(7)35(26-32-21-15-11-16-22-32)44(53)56-39(30(5)6)42(51)48(9)36(27-33-23-17-12-18-24-33)45(54)57-38(29(3)4)41(50)47(8)34(43(52)55-37)25-31-19-13-10-14-20-31/h10-24,28-30,34-39H,25-27H2,1-9H3/t34-,35-,36-,37+,38+,39+/m1/s1
Canonical SMILES:  CC([C@@H]1OC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](OC(=O)[C@H](N(C(=O)[C@@H](OC(=O)[C@H](N(C1=O)C)Cc1ccccc1)C(C)C)C)Cc1ccccc1)C(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
NPO33182 beauveria bassiana atcc 7159 Species Cordycipitaceae Eukaryota PMID[17803266]
NPO33594 Paecilomyces tenuipes Species Eukaryota PMID[19299148]
NPO22874 Bombyx mori Species Bombycidae Eukaryota HerDing*
NPO22874 Bombyx mori Species Bombycidae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT397 Cell Line NCI-H460 Homo sapiens IC50 = 1410 nM 17286429
NPT783 Cell Line MIA PaCa-2 Homo sapiens IC50 = 1660 nM 17286429
NPT83 Cell Line MCF7 Homo sapiens IC50 = 1810 nM 17286429
NPT395 Cell Line SF-268 Homo sapiens IC50 = 2290 nM 17286429
NPT2 Others Unspecified IC50 = 3800 nM 17286429
NPT2 Others Unspecified IC25 = 2.3 nM 17286429
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 7500 nM 17286429
NPT82 Cell Line MDA-MB-231 Homo sapiens IC25 = 6.4 nM 17286429
NPT2 Others Unspecified IC50 = 7500 nM 17286429
NPT2 Others Unspecified IC25 = 0.005 nM 17286429
NPT2 Others Unspecified IC50 = 8000 nM 17803266
NPT2 Others Unspecified IC50 = 3500 nM 17803266
NPT2 Others Unspecified Ratio = 2.3 17803266
NPT188 Organism Candida parapsilosis Candida parapsilosis Survival = 8.3 day 17360571
NPT1381 Organism Aedes aegypti Aedes aegypti LC50 = 26 ppm 10.1021/np50119a012
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 EC50 = 1.6 ug/ml 19299148

  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 NPC71933 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
1.0 High Similarity NPC89923
1.0 High Similarity NPC105114
1.0 High Similarity NPC239990
1.0 High Similarity NPC152850
0.9916 High Similarity NPC136453
0.9754 High Similarity NPC157311
0.9675 High Similarity NPC44805
0.9675 High Similarity NPC8761
0.8394 Intermediate Similarity NPC209509
0.8248 Intermediate Similarity NPC139326
0.8214 Intermediate Similarity NPC105717
0.8175 Intermediate Similarity NPC263493
0.8175 Intermediate Similarity NPC269398
0.8129 Intermediate Similarity NPC5620
0.8116 Intermediate Similarity NPC161069
0.8088 Intermediate Similarity NPC127741
0.8088 Intermediate Similarity NPC68865
0.8029 Intermediate Similarity NPC92784
0.8029 Intermediate Similarity NPC470884
0.8029 Intermediate Similarity NPC98424
0.8029 Intermediate Similarity NPC476133
0.8029 Intermediate Similarity NPC178662
0.7986 Intermediate Similarity NPC286551
0.7971 Intermediate Similarity NPC46098
0.7971 Intermediate Similarity NPC268841
0.7971 Intermediate Similarity NPC307357
0.7956 Intermediate Similarity NPC471264
0.7956 Intermediate Similarity NPC471265
0.7902 Intermediate Similarity NPC129666
0.7887 Intermediate Similarity NPC225648
0.7887 Intermediate Similarity NPC329761
0.7887 Intermediate Similarity NPC145113
0.7887 Intermediate Similarity NPC138775
0.7842 Intermediate Similarity NPC239762
0.7842 Intermediate Similarity NPC163392
0.7836 Intermediate Similarity NPC473322
0.7721 Intermediate Similarity NPC255447
0.7708 Intermediate Similarity NPC471820
0.7708 Intermediate Similarity NPC471821
0.7692 Intermediate Similarity NPC262077
0.7676 Intermediate Similarity NPC476978
0.7674 Intermediate Similarity NPC169328
0.7647 Intermediate Similarity NPC322598
0.7628 Intermediate Similarity NPC326407
0.7628 Intermediate Similarity NPC317725
0.7619 Intermediate Similarity NPC122590
0.7615 Intermediate Similarity NPC470546
0.7615 Intermediate Similarity NPC310467
0.7606 Intermediate Similarity NPC197682
0.7586 Intermediate Similarity NPC240848
0.7574 Intermediate Similarity NPC111428
0.7561 Intermediate Similarity NPC473418
0.7551 Intermediate Similarity NPC162104
0.7538 Intermediate Similarity NPC470545
0.7535 Intermediate Similarity NPC168113
0.7535 Intermediate Similarity NPC469426
0.7535 Intermediate Similarity NPC469427
0.7533 Intermediate Similarity NPC297145
0.7533 Intermediate Similarity NPC197743
0.7518 Intermediate Similarity NPC132636
0.7517 Intermediate Similarity NPC135121
0.75 Intermediate Similarity NPC477061
0.75 Intermediate Similarity NPC201244
0.75 Intermediate Similarity NPC45777
0.75 Intermediate Similarity NPC477217
0.7483 Intermediate Similarity NPC176226
0.7462 Intermediate Similarity NPC470544
0.7451 Intermediate Similarity NPC471053
0.7451 Intermediate Similarity NPC471052
0.7451 Intermediate Similarity NPC471051
0.7431 Intermediate Similarity NPC52748
0.7429 Intermediate Similarity NPC248283
0.7415 Intermediate Similarity NPC2501
0.741 Intermediate Similarity NPC246079
0.7383 Intermediate Similarity NPC473341
0.7372 Intermediate Similarity NPC319766
0.7368 Intermediate Similarity NPC190663
0.7353 Intermediate Similarity NPC4974
0.7353 Intermediate Similarity NPC47667
0.7348 Intermediate Similarity NPC237420
0.7343 Intermediate Similarity NPC476259
0.7324 Intermediate Similarity NPC43755
0.732 Intermediate Similarity NPC471527
0.7313 Intermediate Similarity NPC71684
0.7308 Intermediate Similarity NPC33742
0.7296 Intermediate Similarity NPC155506
0.7296 Intermediate Similarity NPC159767
0.7296 Intermediate Similarity NPC318930
0.7296 Intermediate Similarity NPC317362
0.7279 Intermediate Similarity NPC222466
0.726 Intermediate Similarity NPC313867
0.726 Intermediate Similarity NPC316008
0.7259 Intermediate Similarity NPC160493
0.7246 Intermediate Similarity NPC210950
0.7246 Intermediate Similarity NPC199738
0.7231 Intermediate Similarity NPC35850
0.7231 Intermediate Similarity NPC276949
0.7226 Intermediate Similarity NPC101719
0.7211 Intermediate Similarity NPC314358
0.7192 Intermediate Similarity NPC314388
0.7192 Intermediate Similarity NPC315283
0.717 Intermediate Similarity NPC230611
0.7163 Intermediate Similarity NPC246913
0.7161 Intermediate Similarity NPC73644
0.7143 Intermediate Similarity NPC476198
0.7133 Intermediate Similarity NPC76785
0.7133 Intermediate Similarity NPC475318
0.7133 Intermediate Similarity NPC474811
0.7133 Intermediate Similarity NPC90194
0.7133 Intermediate Similarity NPC474855
0.7133 Intermediate Similarity NPC118099
0.7133 Intermediate Similarity NPC260045
0.7133 Intermediate Similarity NPC9687
0.7133 Intermediate Similarity NPC476102
0.7133 Intermediate Similarity NPC79465
0.7133 Intermediate Similarity NPC474787
0.7133 Intermediate Similarity NPC293377
0.7133 Intermediate Similarity NPC49577
0.7133 Intermediate Similarity NPC151706
0.7133 Intermediate Similarity NPC475598
0.7133 Intermediate Similarity NPC273907
0.7125 Intermediate Similarity NPC306804
0.7125 Intermediate Similarity NPC137627
0.7111 Intermediate Similarity NPC200964
0.7111 Intermediate Similarity NPC478015
0.7111 Intermediate Similarity NPC80150
0.7111 Intermediate Similarity NPC478016
0.7111 Intermediate Similarity NPC478014
0.7101 Intermediate Similarity NPC474847
0.7092 Intermediate Similarity NPC130309
0.7089 Intermediate Similarity NPC107938
0.7089 Intermediate Similarity NPC294516
0.7086 Intermediate Similarity NPC233702
0.7081 Intermediate Similarity NPC279871
0.7081 Intermediate Similarity NPC473402
0.708 Intermediate Similarity NPC35996
0.708 Intermediate Similarity NPC6975
0.708 Intermediate Similarity NPC46427
0.7071 Intermediate Similarity NPC165726
0.7071 Intermediate Similarity NPC213969
0.705 Intermediate Similarity NPC477937
0.7032 Intermediate Similarity NPC62104
0.7032 Intermediate Similarity NPC1390
0.7021 Intermediate Similarity NPC200589
0.7021 Intermediate Similarity NPC69496
0.702 Intermediate Similarity NPC475168
0.702 Intermediate Similarity NPC7817
0.7008 Intermediate Similarity NPC67043
0.7007 Intermediate Similarity NPC317474
0.7007 Intermediate Similarity NPC291027
0.7007 Intermediate Similarity NPC213126
0.7007 Intermediate Similarity NPC84281
0.7007 Intermediate Similarity NPC169485
0.7007 Intermediate Similarity NPC252878
0.7 Intermediate Similarity NPC40234
0.7 Intermediate Similarity NPC196091
0.6993 Remote Similarity NPC233910
0.6993 Remote Similarity NPC313663
0.6993 Remote Similarity NPC245836
0.6993 Remote Similarity NPC287401
0.6988 Remote Similarity NPC294951
0.6981 Remote Similarity NPC473502
0.698 Remote Similarity NPC81026
0.6975 Remote Similarity NPC476227
0.6975 Remote Similarity NPC477462
0.6975 Remote Similarity NPC26108
0.6963 Remote Similarity NPC220698
0.6962 Remote Similarity NPC223207
0.6957 Remote Similarity NPC89831
0.6951 Remote Similarity NPC194671
0.6951 Remote Similarity NPC269750
0.6951 Remote Similarity NPC45037
0.694 Remote Similarity NPC239357
0.6934 Remote Similarity NPC314192
0.6934 Remote Similarity NPC202521
0.6929 Remote Similarity NPC65310
0.6923 Remote Similarity NPC257390
0.6923 Remote Similarity NPC158854
0.6918 Remote Similarity NPC304074
0.6918 Remote Similarity NPC290755
0.6918 Remote Similarity NPC77992
0.6918 Remote Similarity NPC471771
0.6914 Remote Similarity NPC273755
0.6914 Remote Similarity NPC248670
0.6913 Remote Similarity NPC266741
0.6913 Remote Similarity NPC315266
0.6906 Remote Similarity NPC22746
0.6894 Remote Similarity NPC474584
0.6883 Remote Similarity NPC470902
0.6871 Remote Similarity NPC158277
0.6871 Remote Similarity NPC473354
0.687 Remote Similarity NPC319579
0.6866 Remote Similarity NPC473573
0.6861 Remote Similarity NPC476990
0.6857 Remote Similarity NPC472165
0.6855 Remote Similarity NPC63931
0.6855 Remote Similarity NPC5719
0.6855 Remote Similarity NPC217804
0.6855 Remote Similarity NPC210377
0.6855 Remote Similarity NPC22883

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC71933 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
0.7941 Intermediate Similarity NPD6623 Phase 3
0.7887 Intermediate Similarity NPD8323 Discontinued
0.7874 Intermediate Similarity NPD4574 Approved
0.7874 Intermediate Similarity NPD4576 Approved
0.777 Intermediate Similarity NPD6294 Approved
0.777 Intermediate Similarity NPD6295 Approved
0.7698 Intermediate Similarity NPD6073 Approved
0.7669 Intermediate Similarity NPD4677 Discontinued
0.7615 Intermediate Similarity NPD6343 Approved
0.7615 Intermediate Similarity NPD6345 Approved
0.7609 Intermediate Similarity NPD7634 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD5747 Discontinued
0.7594 Intermediate Similarity NPD2584 Suspended
0.7574 Intermediate Similarity NPD4177 Approved
0.7574 Intermediate Similarity NPD4175 Approved
0.7447 Intermediate Similarity NPD7510 Approved
0.7447 Intermediate Similarity NPD5725 Approved
0.7429 Intermediate Similarity NPD8265 Approved
0.741 Intermediate Similarity NPD5581 Approved
0.7405 Intermediate Similarity NPD5990 Approved
0.7405 Intermediate Similarity NPD5991 Approved
0.7405 Intermediate Similarity NPD6065 Approved
0.7394 Intermediate Similarity NPD6852 Discontinued
0.7391 Intermediate Similarity NPD5202 Clinical (unspecified phase)
0.7376 Intermediate Similarity NPD7113 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD6792 Phase 3
0.7351 Intermediate Similarity NPD8417 Discontinued
0.7324 Intermediate Similarity NPD8172 Phase 2
0.7324 Intermediate Similarity NPD8173 Phase 2
0.7313 Intermediate Similarity NPD7813 Approved
0.7313 Intermediate Similarity NPD7815 Approved
0.7305 Intermediate Similarity NPD5296 Approved
0.7305 Intermediate Similarity NPD4153 Approved
0.7292 Intermediate Similarity NPD7511 Approved
0.7292 Intermediate Similarity NPD7512 Approved
0.7266 Intermediate Similarity NPD4617 Approved
0.7266 Intermediate Similarity NPD4620 Approved
0.7266 Intermediate Similarity NPD5201 Approved
0.7266 Intermediate Similarity NPD5263 Approved
0.7266 Intermediate Similarity NPD5203 Approved
0.7259 Intermediate Similarity NPD7437 Approved
0.7259 Intermediate Similarity NPD7436 Approved
0.7259 Intermediate Similarity NPD4706 Clinical (unspecified phase)
0.7254 Intermediate Similarity NPD8643 Discontinued
0.7226 Intermediate Similarity NPD5667 Approved
0.7222 Intermediate Similarity NPD7130 Phase 3
0.7222 Intermediate Similarity NPD5704 Approved
0.7222 Intermediate Similarity NPD5705 Approved
0.7222 Intermediate Similarity NPD5706 Approved
0.7214 Intermediate Similarity NPD4794 Discontinued
0.7206 Intermediate Similarity NPD7814 Approved
0.7206 Intermediate Similarity NPD3072 Approved
0.7206 Intermediate Similarity NPD3073 Approved
0.7206 Intermediate Similarity NPD3071 Approved
0.7194 Intermediate Similarity NPD5759 Approved
0.7188 Intermediate Similarity NPD3646 Clinical (unspecified phase)
0.7183 Intermediate Similarity NPD5121 Approved
0.7183 Intermediate Similarity NPD5120 Approved
0.7183 Intermediate Similarity NPD8416 Discontinued
0.7183 Intermediate Similarity NPD5119 Approved
0.7165 Intermediate Similarity NPD5979 Clinical (unspecified phase)
0.7164 Intermediate Similarity NPD4504 Clinical (unspecified phase)
0.7163 Intermediate Similarity NPD4619 Approved
0.7163 Intermediate Similarity NPD4621 Approved
0.7154 Intermediate Similarity NPD7798 Approved
0.7154 Intermediate Similarity NPD2607 Approved
0.7133 Intermediate Similarity NPD5942 Approved
0.7133 Intermediate Similarity NPD5941 Approved
0.7132 Intermediate Similarity NPD4807 Approved
0.7132 Intermediate Similarity NPD4762 Approved
0.7132 Intermediate Similarity NPD4761 Approved
0.7132 Intermediate Similarity NPD4806 Approved
0.7092 Intermediate Similarity NPD6039 Approved
0.709 Intermediate Similarity NPD5859 Discontinued
0.7083 Intermediate Similarity NPD6817 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD5204 Approved
0.7068 Intermediate Similarity NPD7679 Phase 2
0.7059 Intermediate Similarity NPD4106 Approved
0.7059 Intermediate Similarity NPD4135 Approved
0.7059 Intermediate Similarity NPD4136 Approved
0.7039 Intermediate Similarity NPD8352 Phase 1
0.7021 Intermediate Similarity NPD2613 Approved
0.7021 Intermediate Similarity NPD4125 Approved
0.7021 Intermediate Similarity NPD4676 Approved
0.7007 Intermediate Similarity NPD2608 Approved
0.7007 Intermediate Similarity NPD2610 Approved
0.7007 Intermediate Similarity NPD3132 Approved
0.7007 Intermediate Similarity NPD7720 Phase 2
0.7007 Intermediate Similarity NPD2611 Approved
0.7007 Intermediate Similarity NPD4216 Approved
0.7007 Intermediate Similarity NPD4215 Approved
0.7007 Intermediate Similarity NPD4218 Approved
0.7007 Intermediate Similarity NPD4217 Approved
0.7007 Intermediate Similarity NPD5338 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD3131 Approved
0.7007 Intermediate Similarity NPD2609 Approved
0.7007 Intermediate Similarity NPD2612 Approved
0.7 Intermediate Similarity NPD3608 Clinical (unspecified phase)
0.6993 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6993 Remote Similarity NPD3090 Approved
0.6993 Remote Similarity NPD3614 Approved
0.6993 Remote Similarity NPD2574 Discontinued
0.6993 Remote Similarity NPD2566 Approved
0.6993 Remote Similarity NPD4745 Approved
0.6993 Remote Similarity NPD7715 Approved
0.6993 Remote Similarity NPD3088 Approved
0.6993 Remote Similarity NPD4746 Phase 3
0.6993 Remote Similarity NPD7714 Approved
0.6993 Remote Similarity NPD3087 Approved
0.6993 Remote Similarity NPD3615 Approved
0.6993 Remote Similarity NPD2571 Approved
0.6993 Remote Similarity NPD2570 Approved
0.6993 Remote Similarity NPD8315 Phase 1
0.6993 Remote Similarity NPD3616 Approved
0.6993 Remote Similarity NPD3089 Approved
0.6993 Remote Similarity NPD2573 Approved
0.6978 Remote Similarity NPD2199 Approved
0.6978 Remote Similarity NPD2198 Approved
0.6974 Remote Similarity NPD7613 Discontinued
0.697 Remote Similarity NPD3598 Phase 3
0.6968 Remote Similarity NPD7749 Clinical (unspecified phase)
0.6954 Remote Similarity NPD8165 Discontinued
0.6954 Remote Similarity NPD6088 Approved
0.695 Remote Similarity NPD3040 Approved
0.6934 Remote Similarity NPD5579 Approved
0.6934 Remote Similarity NPD5576 Approved
0.6929 Remote Similarity NPD2625 Approved
0.6929 Remote Similarity NPD2160 Approved
0.6929 Remote Similarity NPD2159 Approved
0.6929 Remote Similarity NPD2628 Approved
0.6929 Remote Similarity NPD2627 Approved
0.6929 Remote Similarity NPD2626 Approved
0.6923 Remote Similarity NPD4233 Approved
0.6923 Remote Similarity NPD4234 Approved
0.6923 Remote Similarity NPD1752 Approved
0.6923 Remote Similarity NPD1756 Approved
0.6917 Remote Similarity NPD3551 Approved
0.6913 Remote Similarity NPD6860 Clinical (unspecified phase)
0.6913 Remote Similarity NPD5265 Approved
0.6913 Remote Similarity NPD5264 Approved
0.6912 Remote Similarity NPD5981 Approved
0.6912 Remote Similarity NPD4102 Approved
0.6912 Remote Similarity NPD4105 Approved
0.6897 Remote Similarity NPD4684 Phase 3
0.6897 Remote Similarity NPD4685 Phase 3
0.6897 Remote Similarity NPD4686 Approved
0.6879 Remote Similarity NPD5339 Clinical (unspecified phase)
0.6879 Remote Similarity NPD7599 Phase 2
0.6879 Remote Similarity NPD4151 Approved
0.6879 Remote Similarity NPD5993 Phase 1
0.687 Remote Similarity NPD3643 Approved
0.687 Remote Similarity NPD3642 Approved
0.687 Remote Similarity NPD3644 Approved
0.6866 Remote Similarity NPD7508 Discontinued
0.6863 Remote Similarity NPD5638 Approved
0.6861 Remote Similarity NPD4488 Clinical (unspecified phase)
0.6859 Remote Similarity NPD7105 Phase 1
0.6853 Remote Similarity NPD4497 Clinical (unspecified phase)
0.6846 Remote Similarity NPD6681 Discovery
0.6842 Remote Similarity NPD2650 Approved
0.6842 Remote Similarity NPD1370 Approved
0.6842 Remote Similarity NPD1373 Approved
0.6842 Remote Similarity NPD1371 Approved
0.6842 Remote Similarity NPD1374 Approved
0.6842 Remote Similarity NPD2652 Approved
0.6835 Remote Similarity NPD7600 Phase 2
0.6831 Remote Similarity NPD3663 Approved
0.6831 Remote Similarity NPD3664 Approved
0.6831 Remote Similarity NPD3661 Approved
0.6831 Remote Similarity NPD3662 Phase 3
0.6828 Remote Similarity NPD6311 Approved
0.6828 Remote Similarity NPD6310 Approved
0.6828 Remote Similarity NPD6309 Approved
0.6821 Remote Similarity NPD6552 Clinical (unspecified phase)
0.6809 Remote Similarity NPD2585 Clinical (unspecified phase)
0.6781 Remote Similarity NPD8302 Clinical (unspecified phase)
0.6779 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6779 Remote Similarity NPD4152 Approved
0.6772 Remote Similarity NPD4803 Discontinued
0.6765 Remote Similarity NPD2116 Approved
0.6765 Remote Similarity NPD2117 Pre-registration
0.6765 Remote Similarity NPD2115 Approved
0.6763 Remote Similarity NPD3624 Phase 2
0.6755 Remote Similarity NPD5298 Clinical (unspecified phase)
0.6741 Remote Similarity NPD1348 Approved
0.6739 Remote Similarity NPD5306 Approved
0.6739 Remote Similarity NPD4164 Clinical (unspecified phase)
0.6739 Remote Similarity NPD5305 Approved
0.6739 Remote Similarity NPD6806 Phase 1
0.6738 Remote Similarity NPD5136 Clinical (unspecified phase)
0.6736 Remote Similarity NPD6919 Clinical (unspecified phase)
0.6736 Remote Similarity NPD4738 Phase 2
0.6715 Remote Similarity NPD2218 Phase 2
0.6715 Remote Similarity NPD2994 Approved
0.6715 Remote Similarity NPD2217 Approved
0.6714 Remote Similarity NPD5108 Clinical (unspecified phase)
0.6713 Remote Similarity NPD3626 Phase 3
0.6712 Remote Similarity NPD3373 Approved
0.6711 Remote Similarity NPD7602 Clinical (unspecified phase)
0.671 Remote Similarity NPD7131 Phase 3

Structure

External Identifiers

PubChem CID   44419427
ChEMBL   CHEMBL373872
ZINC  

Physicochemical Properties

Molecular Weight:  783.41
ALogP:  -0.9075
MLogP:  5.09
XLogP:  11.967
# Rotatable Bonds:  18
Polar Surface Area:  139.83
# H-Bond Aceptor:  12
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  57

Download Data

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Biological Activities  
Similar NPs/Drugs