Natural Product: NPC476990

Natural Product ID:  NPC476990
Common Name:   (6S,9S,12S,15S,18S)-9-benzyl-15-[(2S)-butan-2-yl]-12-(hydroxymethyl)-6-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
IUPAC Name:   (6S,9S,12S,15S,18S)-9-benzyl-15-[(2S)-butan-2-yl]-12-(hydroxymethyl)-6-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Synonyms:  
Molecular Formula:   C30H44N6O7
Standard InCHIKey:  DFRCBKAIFYVJFD-BYZHJWIBSA-N
Standard InCHI:  InChI=1S/C30H44N6O7/c1-5-18(4)25-30(43)33-21(16-37)27(40)32-20(14-19-10-7-6-8-11-19)26(39)34-24(17(2)3)29(42)31-15-23(38)36-13-9-12-22(36)28(41)35-25/h6-8,10-11,17-18,20-22,24-25,37H,5,9,12-16H2,1-4H3,(H,31,42)(H,32,40)(H,33,43)(H,34,39)(H,35,41)/t18-,20-,21-,22-,24-,25-/m0/s1
Canonical SMILES:  CC[C@@H]([C@@H]1N=C(O)[C@@H]2CCCN2C(=O)CN=C(O)[C@@H](N=C([C@@H](N=C([C@@H](N=C1O)CO)O)Cc1ccccc1)O)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
NPO23323 Dianthus superbus Species Caryophyllaceae Eukaryota PMID[15387653]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT65 Cell Line HepG2 Homo sapiens IC50 = 2.37 ug/ml 15387653
NPT2 Others Unspecified IC50 > 20 ug/ml 15387653
NPT83 Cell Line MCF7 Homo sapiens IC50 > 20 ug/ml 15387653
NPT81 Cell Line A549 Homo sapiens IC50 > 20 ug/ml 15387653
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 > 20 ug/ml 15387653

  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 NPC476990 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
0.9912 High Similarity NPC202521
0.9825 High Similarity NPC252878
0.9739 High Similarity NPC46427
0.9739 High Similarity NPC6975
0.918 High Similarity NPC130309
0.8983 High Similarity NPC200964
0.888 High Similarity NPC287401
0.8803 High Similarity NPC470544
0.8729 High Similarity NPC470545
0.8655 High Similarity NPC470546
0.864 High Similarity NPC300315
0.8629 High Similarity NPC319766
0.8571 High Similarity NPC255447
0.8527 High Similarity NPC471264
0.8527 High Similarity NPC471265
0.8516 High Similarity NPC248283
0.8516 High Similarity NPC141050
0.8485 Intermediate Similarity NPC476978
0.8413 Intermediate Similarity NPC473322
0.8346 Intermediate Similarity NPC200589
0.8333 Intermediate Similarity NPC14672
0.8333 Intermediate Similarity NPC315276
0.8333 Intermediate Similarity NPC285926
0.8306 Intermediate Similarity NPC474082
0.8306 Intermediate Similarity NPC175726
0.8284 Intermediate Similarity NPC5620
0.8284 Intermediate Similarity NPC315266
0.8258 Intermediate Similarity NPC163392
0.8258 Intermediate Similarity NPC239762
0.8222 Intermediate Similarity NPC314358
0.8182 Intermediate Similarity NPC470884
0.8182 Intermediate Similarity NPC98424
0.8182 Intermediate Similarity NPC239357
0.8182 Intermediate Similarity NPC476133
0.8182 Intermediate Similarity NPC92784
0.8182 Intermediate Similarity NPC178662
0.8175 Intermediate Similarity NPC101719
0.8175 Intermediate Similarity NPC2501
0.8167 Intermediate Similarity NPC33742
0.8148 Intermediate Similarity NPC313867
0.8148 Intermediate Similarity NPC209509
0.8148 Intermediate Similarity NPC316008
0.8145 Intermediate Similarity NPC71684
0.8134 Intermediate Similarity NPC161069
0.8125 Intermediate Similarity NPC111428
0.8116 Intermediate Similarity NPC7817
0.8116 Intermediate Similarity NPC475168
0.8095 Intermediate Similarity NPC22746
0.8095 Intermediate Similarity NPC222466
0.8083 Intermediate Similarity NPC35850
0.8083 Intermediate Similarity NPC276949
0.8074 Intermediate Similarity NPC52748
0.8074 Intermediate Similarity NPC314388
0.8074 Intermediate Similarity NPC315283
0.806 Intermediate Similarity NPC263493
0.806 Intermediate Similarity NPC476989
0.806 Intermediate Similarity NPC269398
0.8043 Intermediate Similarity NPC129666
0.8015 Intermediate Similarity NPC322878
0.8 Intermediate Similarity NPC122590
0.8 Intermediate Similarity NPC262166
0.7986 Intermediate Similarity NPC473491
0.797 Intermediate Similarity NPC68865
0.7946 Intermediate Similarity NPC25565
0.7943 Intermediate Similarity NPC470902
0.7931 Intermediate Similarity NPC88267
0.7931 Intermediate Similarity NPC113326
0.7931 Intermediate Similarity NPC194390
0.7931 Intermediate Similarity NPC224610
0.791 Intermediate Similarity NPC89489
0.7899 Intermediate Similarity NPC138775
0.7876 Intermediate Similarity NPC475439
0.7876 Intermediate Similarity NPC473501
0.7868 Intermediate Similarity NPC77905
0.7852 Intermediate Similarity NPC476259
0.7842 Intermediate Similarity NPC471821
0.7842 Intermediate Similarity NPC471820
0.7826 Intermediate Similarity NPC262077
0.7803 Intermediate Similarity NPC246079
0.7801 Intermediate Similarity NPC162104
0.7786 Intermediate Similarity NPC283783
0.7778 Intermediate Similarity NPC197743
0.7778 Intermediate Similarity NPC297145
0.777 Intermediate Similarity NPC225648
0.777 Intermediate Similarity NPC16188
0.777 Intermediate Similarity NPC329761
0.7762 Intermediate Similarity NPC244509
0.7721 Intermediate Similarity NPC268841
0.7721 Intermediate Similarity NPC46098
0.7721 Intermediate Similarity NPC307357
0.771 Intermediate Similarity NPC469666
0.7704 Intermediate Similarity NPC127741
0.7664 Intermediate Similarity NPC469427
0.7664 Intermediate Similarity NPC469426
0.7664 Intermediate Similarity NPC168113
0.7643 Intermediate Similarity NPC145113
0.7626 Intermediate Similarity NPC471680
0.7622 Intermediate Similarity NPC473341
0.7609 Intermediate Similarity NPC139326
0.7609 Intermediate Similarity NPC197682
0.7609 Intermediate Similarity NPC176226
0.7603 Intermediate Similarity NPC244336
0.7603 Intermediate Similarity NPC469898
0.7589 Intermediate Similarity NPC240848
0.754 Intermediate Similarity NPC169328
0.7537 Intermediate Similarity NPC325479
0.7518 Intermediate Similarity NPC311658
0.7518 Intermediate Similarity NPC132636
0.7518 Intermediate Similarity NPC135121
0.7517 Intermediate Similarity NPC476268
0.75 Intermediate Similarity NPC73655
0.75 Intermediate Similarity NPC56685
0.75 Intermediate Similarity NPC474973
0.75 Intermediate Similarity NPC201244
0.75 Intermediate Similarity NPC45777
0.75 Intermediate Similarity NPC477061
0.75 Intermediate Similarity NPC477217
0.75 Intermediate Similarity NPC202198
0.75 Intermediate Similarity NPC130898
0.75 Intermediate Similarity NPC261934
0.75 Intermediate Similarity NPC5194
0.75 Intermediate Similarity NPC474804
0.748 Intermediate Similarity NPC310467
0.7419 Intermediate Similarity NPC474584
0.7417 Intermediate Similarity NPC302597
0.7417 Intermediate Similarity NPC143516
0.7415 Intermediate Similarity NPC324850
0.7397 Intermediate Similarity NPC469903
0.7391 Intermediate Similarity NPC161972
0.7391 Intermediate Similarity NPC242159
0.7391 Intermediate Similarity NPC303045
0.7391 Intermediate Similarity NPC313694
0.7376 Intermediate Similarity NPC266741
0.7365 Intermediate Similarity NPC1390
0.7365 Intermediate Similarity NPC62104
0.7364 Intermediate Similarity NPC478014
0.7364 Intermediate Similarity NPC478015
0.7364 Intermediate Similarity NPC478016
0.7357 Intermediate Similarity NPC468984
0.7351 Intermediate Similarity NPC254700
0.7344 Intermediate Similarity NPC237420
0.7343 Intermediate Similarity NPC105717
0.7324 Intermediate Similarity NPC81026
0.732 Intermediate Similarity NPC475123
0.732 Intermediate Similarity NPC475204
0.7315 Intermediate Similarity NPC469901
0.7315 Intermediate Similarity NPC471527
0.731 Intermediate Similarity NPC233702
0.7297 Intermediate Similarity NPC323336
0.7297 Intermediate Similarity NPC326349
0.7255 Intermediate Similarity NPC473000
0.7241 Intermediate Similarity NPC58674
0.7226 Intermediate Similarity NPC137627
0.7219 Intermediate Similarity NPC471053
0.7219 Intermediate Similarity NPC471051
0.7219 Intermediate Similarity NPC471052
0.7218 Intermediate Similarity NPC47667
0.7213 Intermediate Similarity NPC327481
0.7211 Intermediate Similarity NPC473002
0.7209 Intermediate Similarity NPC314992
0.72 Intermediate Similarity NPC473003
0.72 Intermediate Similarity NPC469902
0.7188 Intermediate Similarity NPC2265
0.7179 Intermediate Similarity NPC471165
0.7179 Intermediate Similarity NPC26108
0.7179 Intermediate Similarity NPC477462
0.7171 Intermediate Similarity NPC5719
0.7171 Intermediate Similarity NPC210377
0.7171 Intermediate Similarity NPC217804
0.7171 Intermediate Similarity NPC472923
0.7171 Intermediate Similarity NPC22883
0.7161 Intermediate Similarity NPC328494
0.7152 Intermediate Similarity NPC241794
0.7143 Intermediate Similarity NPC273814
0.7143 Intermediate Similarity NPC286551
0.7143 Intermediate Similarity NPC280022
0.713 Intermediate Similarity NPC226438
0.7122 Intermediate Similarity NPC49577
0.7122 Intermediate Similarity NPC151706
0.7122 Intermediate Similarity NPC475598
0.7122 Intermediate Similarity NPC79465
0.7122 Intermediate Similarity NPC9687
0.7122 Intermediate Similarity NPC293377
0.7122 Intermediate Similarity NPC118099
0.7122 Intermediate Similarity NPC474855
0.7122 Intermediate Similarity NPC273907
0.7122 Intermediate Similarity NPC314835
0.7122 Intermediate Similarity NPC76785
0.7122 Intermediate Similarity NPC474787
0.7122 Intermediate Similarity NPC474811
0.7122 Intermediate Similarity NPC476102
0.7122 Intermediate Similarity NPC90194
0.7122 Intermediate Similarity NPC260045
0.7122 Intermediate Similarity NPC475318
0.7119 Intermediate Similarity NPC311242
0.709 Intermediate Similarity NPC477248
0.709 Intermediate Similarity NPC477249
0.7078 Intermediate Similarity NPC294516
0.7078 Intermediate Similarity NPC63040
0.7078 Intermediate Similarity NPC107938

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476990 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 NPD8173 Phase 2
0.8672 High Similarity NPD8172 Phase 2
0.845 Intermediate Similarity NPD7113 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD5339 Clinical (unspecified phase)
0.8306 Intermediate Similarity NPD2584 Suspended
0.8254 Intermediate Similarity NPD2585 Clinical (unspecified phase)
0.812 Intermediate Similarity NPD7728 Clinical (unspecified phase)
0.8062 Intermediate Similarity NPD4125 Approved
0.797 Intermediate Similarity NPD4782 Clinical (unspecified phase)
0.7955 Intermediate Similarity NPD8416 Discontinued
0.7955 Intermediate Similarity NPD4791 Clinical (unspecified phase)
0.7883 Intermediate Similarity NPD6860 Clinical (unspecified phase)
0.7797 Intermediate Similarity NPD7130 Phase 3
0.7786 Intermediate Similarity NPD7979 Clinical (unspecified phase)
0.7734 Intermediate Similarity NPD3071 Approved
0.7734 Intermediate Similarity NPD3072 Approved
0.7734 Intermediate Similarity NPD3073 Approved
0.7727 Intermediate Similarity NPD6919 Clinical (unspecified phase)
0.771 Intermediate Similarity NPD4175 Approved
0.771 Intermediate Similarity NPD4177 Approved
0.7681 Intermediate Similarity NPD5341 Clinical (unspecified phase)
0.7669 Intermediate Similarity NPD3632 Clinical (unspecified phase)
0.7656 Intermediate Similarity NPD4762 Approved
0.7656 Intermediate Similarity NPD4761 Approved
0.7643 Intermediate Similarity NPD8323 Discontinued
0.7638 Intermediate Similarity NPD7342 Discontinued
0.7609 Intermediate Similarity NPD8076 Discontinued
0.7576 Intermediate Similarity NPD3626 Phase 3
0.7574 Intermediate Similarity NPD5725 Approved
0.7574 Intermediate Similarity NPD6073 Approved
0.754 Intermediate Similarity NPD7522 Discontinued
0.7534 Intermediate Similarity NPD7118 Clinical (unspecified phase)
0.7519 Intermediate Similarity NPD5263 Approved
0.7519 Intermediate Similarity NPD4676 Approved
0.7518 Intermediate Similarity NPD6901 Phase 3
0.75 Intermediate Similarity NPD3608 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD8643 Discontinued
0.7482 Intermediate Similarity NPD2022 Approved
0.7463 Intermediate Similarity NPD2046 Approved
0.7463 Intermediate Similarity NPD2049 Clinical (unspecified phase)
0.7463 Intermediate Similarity NPD2044 Approved
0.7463 Intermediate Similarity NPD2050 Clinical (unspecified phase)
0.7463 Intermediate Similarity NPD2048 Approved
0.7463 Intermediate Similarity NPD21 Approved
0.7463 Intermediate Similarity NPD2051 Approved
0.7463 Intermediate Similarity NPD2047 Approved
0.7463 Intermediate Similarity NPD2045 Approved
0.7463 Intermediate Similarity NPD2043 Approved
0.7431 Intermediate Similarity NPD7613 Discontinued
0.7407 Intermediate Similarity NPD1330 Phase 2
0.7407 Intermediate Similarity NPD1329 Clinical (unspecified phase)
0.7385 Intermediate Similarity NPD4706 Clinical (unspecified phase)
0.7373 Intermediate Similarity NPD4760 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD3588 Discontinued
0.7357 Intermediate Similarity NPD2087 Approved
0.7357 Intermediate Similarity NPD2088 Approved
0.7353 Intermediate Similarity NPD5747 Discontinued
0.7353 Intermediate Similarity NPD7634 Clinical (unspecified phase)
0.7348 Intermediate Similarity NPD3125 Approved
0.7348 Intermediate Similarity NPD5367 Discontinued
0.7343 Intermediate Similarity NPD8290 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD8315 Phase 1
0.7323 Intermediate Similarity NPD3123 Discovery
0.7292 Intermediate Similarity NPD6631 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD7892 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD2078 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD4814 Discontinued
0.723 Intermediate Similarity NPD7267 Clinical (unspecified phase)
0.7218 Intermediate Similarity NPD6792 Phase 3
0.7217 Intermediate Similarity NPD6690 Approved
0.7214 Intermediate Similarity NPD3480 Approved
0.7209 Intermediate Similarity NPD2218 Phase 2
0.7209 Intermediate Similarity NPD2217 Approved
0.7203 Intermediate Similarity NPD6676 Phase 2
0.7185 Intermediate Similarity NPD3040 Approved
0.7185 Intermediate Similarity NPD5759 Approved
0.7183 Intermediate Similarity NPD2436 Approved
0.7183 Intermediate Similarity NPD2437 Approved
0.7174 Intermediate Similarity NPD5323 Approved
0.7174 Intermediate Similarity NPD4153 Approved
0.7172 Intermediate Similarity NPD3988 Approved
0.7172 Intermediate Similarity NPD5614 Approved
0.7172 Intermediate Similarity NPD3987 Approved
0.7172 Intermediate Similarity NPD5613 Approved
0.7154 Intermediate Similarity NPD6038 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4677 Discontinued
0.7131 Intermediate Similarity NPD999 Phase 2
0.7122 Intermediate Similarity NPD4757 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD7720 Phase 2
0.7111 Intermediate Similarity NPD3604 Clinical (unspecified phase)
0.7109 Intermediate Similarity NPD7508 Discontinued
0.7101 Intermediate Similarity NPD3561 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD4647 Approved
0.7095 Intermediate Similarity NPD4648 Approved
0.7095 Intermediate Similarity NPD4646 Approved
0.708 Intermediate Similarity NPD4794 Discontinued
0.7075 Intermediate Similarity NPD5229 Approved
0.7075 Intermediate Similarity NPD6078 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD5230 Approved
0.7069 Intermediate Similarity NPD1812 Approved
0.7069 Intermediate Similarity NPD1814 Approved
0.7063 Intermediate Similarity NPD6681 Discovery
0.705 Intermediate Similarity NPD8265 Approved
0.705 Intermediate Similarity NPD6623 Phase 3
0.7042 Intermediate Similarity NPD7511 Approved
0.7042 Intermediate Similarity NPD7512 Approved
0.7029 Intermediate Similarity NPD5299 Approved
0.7025 Intermediate Similarity NPD855 Approved
0.7025 Intermediate Similarity NPD854 Approved
0.7023 Intermediate Similarity NPD4504 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD6852 Discontinued
0.7021 Intermediate Similarity NPD4126 Approved
0.7014 Intermediate Similarity NPD5265 Approved
0.7014 Intermediate Similarity NPD5264 Approved
0.7013 Intermediate Similarity NPD8303 Discontinued
0.7009 Intermediate Similarity NPD1080 Approved
0.7008 Intermediate Similarity NPD4165 Phase 2
0.7008 Intermediate Similarity NPD3066 Phase 2
0.7006 Intermediate Similarity NPD8126 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD8124 Phase 3
0.6993 Remote Similarity NPD8351 Phase 2
0.6992 Remote Similarity NPD5338 Clinical (unspecified phase)
0.6984 Remote Similarity NPD2583 Phase 2
0.6984 Remote Similarity NPD3642 Approved
0.6984 Remote Similarity NPD3643 Approved
0.6984 Remote Similarity NPD3644 Approved
0.698 Remote Similarity NPD6670 Clinical (unspecified phase)
0.6978 Remote Similarity NPD941 Approved
0.6974 Remote Similarity NPD4557 Approved
0.6963 Remote Similarity NPD2031 Discontinued
0.6939 Remote Similarity NPD6088 Approved
0.6929 Remote Similarity NPD5296 Approved
0.6923 Remote Similarity NPD1344 Phase 2
0.6918 Remote Similarity NPD7602 Clinical (unspecified phase)
0.6912 Remote Similarity NPD3029 Clinical (unspecified phase)
0.6908 Remote Similarity NPD7011 Discontinued
0.6906 Remote Similarity NPD7908 Discontinued
0.6884 Remote Similarity NPD6359 Clinical (unspecified phase)
0.688 Remote Similarity NPD6406 Approved
0.6875 Remote Similarity NPD480 Approved
0.6866 Remote Similarity NPD3529 Phase 2
0.6861 Remote Similarity NPD4151 Approved
0.6857 Remote Similarity NPD8118 Discontinued
0.6855 Remote Similarity NPD5717 Approved
0.6853 Remote Similarity NPD5301 Clinical (unspecified phase)
0.6846 Remote Similarity NPD7303 Discontinued
0.6846 Remote Similarity NPD1348 Approved
0.6838 Remote Similarity NPD6325 Discontinued
0.6835 Remote Similarity NPD4738 Phase 2
0.6831 Remote Similarity NPD7510 Approved
0.6822 Remote Similarity NPD3598 Phase 3
0.6818 Remote Similarity NPD6343 Approved
0.6818 Remote Similarity NPD6345 Approved
0.6815 Remote Similarity NPD5335 Discontinued
0.6815 Remote Similarity NPD5108 Clinical (unspecified phase)
0.6806 Remote Similarity NPD6897 Clinical (unspecified phase)
0.6803 Remote Similarity NPD6552 Clinical (unspecified phase)
0.6792 Remote Similarity NPD7965 Phase 2
0.6792 Remote Similarity NPD7964 Clinical (unspecified phase)
0.6786 Remote Similarity NPD5581 Approved
0.6783 Remote Similarity NPD6295 Approved
0.6783 Remote Similarity NPD6294 Approved
0.6776 Remote Similarity NPD8417 Discontinued
0.6763 Remote Similarity NPD2613 Approved
0.6761 Remote Similarity NPD3908 Approved
0.6753 Remote Similarity NPD4567 Approved
0.6753 Remote Similarity NPD7599 Phase 2
0.6753 Remote Similarity NPD4566 Approved
0.6741 Remote Similarity NPD2612 Approved
0.6741 Remote Similarity NPD7462 Clinical (unspecified phase)
0.6741 Remote Similarity NPD2608 Approved
0.6741 Remote Similarity NPD4217 Approved
0.6741 Remote Similarity NPD3131 Approved
0.6741 Remote Similarity NPD2610 Approved
0.6741 Remote Similarity NPD2611 Approved
0.6741 Remote Similarity NPD2173 Clinical (unspecified phase)
0.6741 Remote Similarity NPD2609 Approved
0.6741 Remote Similarity NPD4215 Approved
0.6741 Remote Similarity NPD4216 Approved
0.6741 Remote Similarity NPD4218 Approved
0.6741 Remote Similarity NPD3132 Approved
0.6739 Remote Similarity NPD6259 Discontinued
0.6735 Remote Similarity NPD1968 Approved
0.6735 Remote Similarity NPD1967 Approved
0.672 Remote Similarity NPD1040 Phase 2
0.6719 Remote Similarity NPD4253 Approved
0.6719 Remote Similarity NPD4254 Approved
0.6714 Remote Similarity NPD3136 Phase 2
0.6711 Remote Similarity NPD2014 Approved
0.6711 Remote Similarity NPD2013 Approved
0.6711 Remote Similarity NPD2016 Approved
0.671 Remote Similarity NPD7600 Phase 2
0.671 Remote Similarity NPD2097 Approved
0.6709 Remote Similarity NPD7484 Phase 3
0.6709 Remote Similarity NPD7485 Phase 3
0.6708 Remote Similarity NPD8022 Clinical (unspecified phase)
0.6693 Remote Similarity NPD2679 Approved
0.6693 Remote Similarity NPD2678 Approved
0.6692 Remote Similarity NPD3149 Approved
0.6692 Remote Similarity NPD3147 Approved

Structure

External Identifiers

PubChem CID   44584359
ChEMBL   CHEMBL447290
ZINC  

Physicochemical Properties

Molecular Weight:  600.33
ALogP:  -2.5112
MLogP:  3.33
XLogP:  3.12
# Rotatable Bonds:  16
Polar Surface Area:  203.49
# H-Bond Aceptor:  13
# H-Bond Donor:  6
# Rings:  3
# Heavy Atoms:  43

Download Data

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