Natural Product: NPC83241

Natural Product ID:  NPC83241
Common Name:   Antimycin A3
IUPAC Name:   [(2R,3S,6S,7R,8R)-8-butyl-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
Synonyms:   Antimycin A3
Molecular Formula:   C26H36N2O9
Standard InCHIKey:  PVEVXUMVNWSNIG-PDPGNHKXSA-N
Standard InCHI:  InChI=1S/C26H36N2O9/c1-6-7-9-18-23(37-20(30)12-14(2)3)16(5)36-26(34)21(15(4)35-25(18)33)28-24(32)17-10-8-11-19(22(17)31)27-13-29/h8,10-11,13-16,18,21,23,31H,6-7,9,12H2,1-5H3,(H,27,29)(H,28,32)/t15-,16+,18-,21+,23+/m1/s1
Canonical SMILES:  CCCC[C@H]1C(=O)O[C@H](C)[C@@H](C(=O)O[C@H]([C@@H]1OC(=O)CC(C)C)C)N=C(c1cccc(c1O)N=CO)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
NPO19539 Uperoleia rugosa Species Myobatrachidae Eukaryota UNPD*
NPO23781 Lemaireocereus stellatus Species Cactaceae Eukaryota UNPD*
NPO23268 Xanthorrhoea reflexa Species Asphodelaceae Eukaryota UNPD*
NPO20290 Vernonia arkansana Species Asteraceae Eukaryota UNPD*
NPO23611 Conyza pallidiflora Species Asteraceae Eukaryota UNPD*
NPO21175 Senecio retrorsus Species Asteraceae Eukaryota UNPD*
NPO18919 Helenium amarum Species Asteraceae Eukaryota UNPD*
NPO26544 Bolboschoenus maritimus Species Cyperaceae Eukaryota UNPD*
NPO22028 Ligularia lankongensis Species Asteraceae Eukaryota UNPD*
NPO23175 Streptomyces antibioticus Species Streptomycetaceae Bacteria UNPD*
NPO23431 Aconitum umbrosum Species Ranunculaceae Eukaryota UNPD*
NPO24063 Evasterias retifera Species Asteriidae Eukaryota UNPD*
NPO23113 Garcinia neglecta Species Clusiaceae Eukaryota UNPD*
NPO23981 Maytenus disticha Species Celastraceae Eukaryota UNPD*
NPO21915 Diospyros chloroxylon Species Ebenaceae Eukaryota UNPD*
NPO23363 Nodulisporium hinnuleum Species Xylariaceae Eukaryota UNPD*
NPO23686 Selinum tenuifolium Species Apiaceae Eukaryota UNPD*
NPO19994 Scutellaria viscidula Species Lamiaceae Eukaryota UNPD*
NPO16976 Phebalium rotundifolium Species Rutaceae Eukaryota UNPD*
NPO23688 Lonicera nitida Species Caprifoliaceae Eukaryota UNPD*
NPO6439 Lithospermum carolinense Species Boraginaceae Eukaryota UNPD*
NPO17801 Drimia altissima Species Hyacinthaceae Eukaryota UNPD*
NPO13151.1 Pulsatilla vulgaris subsp. grandis Subspecies Ranunculaceae Eukaryota UNPD*
NPO23720 Taxus wallichiana Species Taxaceae Eukaryota UNPD*
NPO9228.2 Narcissus pseudonarcissus subsp. radinganorum Subspecies Amaryllidaceae Eukaryota UNPD*
NPO22169 Streptomyces kitazawaensis Species Streptomycetaceae Bacteria StreptomeDB*
NPO31762 Streptomyces spa-10191 Species Streptomycetaceae Bacteria StreptomeDB*
NPO32393 Streptomyces spa-8893 Species Streptomycetaceae Bacteria StreptomeDB*
NPO17888 Myxococcus xanthus Species Myxococcaceae Bacteria UNPD*
NPO12378 Streptomyces blastmyceticus Species Streptomycetaceae Bacteria StreptomeDB*
NPO22210 Allium ampeloprasum Species Amaryllidaceae Eukaryota UNPD*
NPO12378.1 Streptomyces blastmyceticus 455 d 1 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO21747 Sideritis glacialis Species Lamiaceae Eukaryota UNPD*
NPO23175 Streptomyces antibioticus Species Streptomycetaceae Bacteria StreptomeDB*
NPO24105 Artemisia iwayomogi Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT980 Individual Protein Apoptosis regulator Bcl-2 Homo sapiens IC50 = 2000 nM 11728179
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IZ = 16 mm 15808458
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IZ = 18 mm 15808458
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IZ = 19 mm 15808458
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IZ = 26 mm 15808458
NPT2593 Organism Rhodotorula mucilaginosa Rhodotorula mucilaginosa MIC = 0.39 ug/ml 16564168
NPT980 Individual Protein Apoptosis regulator Bcl-2 Homo sapiens Ki = 124000 nM 17227711
NPT2 Others Unspecified Ki = 127000 nM 17227711
NPT3720 Individual Protein Apoptosis regulator Bcl-W Homo sapiens Ki = 127000 nM 17227711
NPT980 Individual Protein Apoptosis regulator Bcl-2 Homo sapiens Ki = 831.76 nM 18040043
NPT20 Organism Candida albicans Candida albicans LD99 = 0.05 ug/ml 16124766
NPT828 Organism Phaeosphaeria nodorum Phaeosphaeria nodorum LD99 = 0.2 ug/ml 16124766
NPT19 Organism Escherichia coli Escherichia coli MIC = 50 ppm 20621723
NPT19 Organism Escherichia coli Escherichia coli IZ = 7 mm 20621723
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 250 ppm 20621723
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 8.5 mm 20621723
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 250 ppm 20621723
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 8 mm 20621723
NPT20 Organism Candida albicans Candida albicans MIC = 50 ppm 20621723
NPT20 Organism Candida albicans Candida albicans IZ = 10 mm 20621723
NPT367 Cell Line MDA-N Homo sapiens GI50 2426.61 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 14190.58 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 294.44 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 4943.11 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 1153.45 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 5357.97 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 96.83 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 12823.31 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 3548.13 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 10 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 7277.8 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 12.33 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 2382.32 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 4226.69 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 8413.95 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 10 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 149.28 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 5321.08 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 2051.16 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 16982.44 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 2910.72 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 34.67 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 4365.16 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 8184.65 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 6792.04 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 5929.25 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 14927.94 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 443.61 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 109.4 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 11721.95 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 2365.92 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 10 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 1682.67 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 1972.42 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 44.06 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 21428.91 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 10864.26 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 10 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 10 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 6561.45 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 44.16 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 321.37 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 277.97 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 2192.8 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 12022.64 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 10 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 160.32 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 1111.73 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 11857.69 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 3944.57 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 42.07 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 13031.67 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 9078.21 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 39.99 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 22.91 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 883.08 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 1595.88 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 6729.77 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 3341.95 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 6486.34 nM PubChem BioAssay data set

  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 NPC83241 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
0.9872 High Similarity NPC95412
0.8869 High Similarity NPC315934
0.8869 High Similarity NPC477392
0.8596 High Similarity NPC477391
0.7458 Intermediate Similarity NPC225381
0.7453 Intermediate Similarity NPC6570
0.7378 Intermediate Similarity NPC91953
0.7317 Intermediate Similarity NPC197921
0.7273 Intermediate Similarity NPC469360
0.7257 Intermediate Similarity NPC475983
0.7246 Intermediate Similarity NPC323798
0.7125 Intermediate Similarity NPC296712
0.7108 Intermediate Similarity NPC181526
0.7066 Intermediate Similarity NPC314113
0.7 Intermediate Similarity NPC70340
0.6984 Remote Similarity NPC295287
0.6982 Remote Similarity NPC106183
0.6966 Remote Similarity NPC72291
0.6962 Remote Similarity NPC474862
0.6949 Remote Similarity NPC476194
0.6946 Remote Similarity NPC471201
0.6946 Remote Similarity NPC322526
0.6943 Remote Similarity NPC190663
0.6939 Remote Similarity NPC472330
0.6939 Remote Similarity NPC472329
0.6919 Remote Similarity NPC315829
0.689 Remote Similarity NPC45191
0.689 Remote Similarity NPC313466
0.6886 Remote Similarity NPC473052
0.6886 Remote Similarity NPC473055
0.6855 Remote Similarity NPC160493
0.6852 Remote Similarity NPC476353
0.6851 Remote Similarity NPC314861
0.6848 Remote Similarity NPC158277
0.6848 Remote Similarity NPC279871
0.6848 Remote Similarity NPC328070
0.6845 Remote Similarity NPC314270
0.6835 Remote Similarity NPC80150
0.6833 Remote Similarity NPC292143
0.6833 Remote Similarity NPC139506
0.6825 Remote Similarity NPC132751
0.681 Remote Similarity NPC101372
0.6778 Remote Similarity NPC289776
0.6778 Remote Similarity NPC133470
0.6778 Remote Similarity NPC191863
0.6758 Remote Similarity NPC238430
0.6744 Remote Similarity NPC81026
0.6742 Remote Similarity NPC212699
0.6742 Remote Similarity NPC207675
0.6742 Remote Similarity NPC56635
0.6739 Remote Similarity NPC310894
0.6738 Remote Similarity NPC274002
0.6738 Remote Similarity NPC472331
0.6738 Remote Similarity NPC269750
0.6738 Remote Similarity NPC126515
0.6738 Remote Similarity NPC194671
0.6737 Remote Similarity NPC315542
0.6731 Remote Similarity NPC315804
0.6731 Remote Similarity NPC313804
0.6728 Remote Similarity NPC4974
0.6724 Remote Similarity NPC132771
0.6723 Remote Similarity NPC256689
0.6723 Remote Similarity NPC123011
0.6703 Remote Similarity NPC248670
0.6702 Remote Similarity NPC288854
0.6687 Remote Similarity NPC326966
0.6686 Remote Similarity NPC266741
0.6686 Remote Similarity NPC316574
0.6685 Remote Similarity NPC199737
0.6685 Remote Similarity NPC196091
0.6685 Remote Similarity NPC40234
0.6684 Remote Similarity NPC471050
0.6684 Remote Similarity NPC294951
0.6684 Remote Similarity NPC469829
0.6684 Remote Similarity NPC471048
0.6684 Remote Similarity NPC471049
0.6683 Remote Similarity NPC214368
0.6667 Remote Similarity NPC127362
0.6667 Remote Similarity NPC26108
0.6667 Remote Similarity NPC184161
0.6667 Remote Similarity NPC319950
0.6667 Remote Similarity NPC39431
0.6667 Remote Similarity NPC478147
0.665 Remote Similarity NPC311357
0.6648 Remote Similarity NPC241392
0.6647 Remote Similarity NPC244866
0.6646 Remote Similarity NPC142577
0.6646 Remote Similarity NPC169328
0.663 Remote Similarity NPC231862
0.6627 Remote Similarity NPC122542
0.6626 Remote Similarity NPC47667
0.6625 Remote Similarity NPC478014
0.6625 Remote Similarity NPC477061
0.6625 Remote Similarity NPC476183
0.6625 Remote Similarity NPC478016
0.6625 Remote Similarity NPC45777
0.6625 Remote Similarity NPC478015
0.6618 Remote Similarity NPC314817
0.6618 Remote Similarity NPC316297
0.6618 Remote Similarity NPC66191
0.6612 Remote Similarity NPC204179
0.6604 Remote Similarity NPC310467
0.6604 Remote Similarity NPC237420
0.6596 Remote Similarity NPC315631
0.6593 Remote Similarity NPC57105
0.6587 Remote Similarity NPC275538
0.6584 Remote Similarity NPC476184
0.6584 Remote Similarity NPC476281
0.6581 Remote Similarity NPC227553
0.6578 Remote Similarity NPC473354
0.6578 Remote Similarity NPC471165
0.6576 Remote Similarity NPC294516
0.6576 Remote Similarity NPC107938
0.6575 Remote Similarity NPC291359
0.6574 Remote Similarity NPC227033
0.6566 Remote Similarity NPC325651
0.6564 Remote Similarity NPC476260
0.6564 Remote Similarity NPC476241
0.6559 Remote Similarity NPC112336
0.6559 Remote Similarity NPC474814
0.6548 Remote Similarity NPC470392
0.6545 Remote Similarity NPC210950
0.6545 Remote Similarity NPC199738
0.6543 Remote Similarity NPC27581
0.6543 Remote Similarity NPC50016
0.6524 Remote Similarity NPC306804
0.6524 Remote Similarity NPC476179
0.6524 Remote Similarity NPC273755
0.6524 Remote Similarity NPC476125
0.6524 Remote Similarity NPC137627
0.652 Remote Similarity NPC316403
0.6513 Remote Similarity NPC163961
0.6513 Remote Similarity NPC473305
0.6512 Remote Similarity NPC244536
0.6512 Remote Similarity NPC314252
0.651 Remote Similarity NPC320394
0.6508 Remote Similarity NPC315406
0.6506 Remote Similarity NPC477839
0.6505 Remote Similarity NPC46009
0.6505 Remote Similarity NPC475123
0.6505 Remote Similarity NPC257354
0.6505 Remote Similarity NPC475204
0.6503 Remote Similarity NPC469927
0.6503 Remote Similarity NPC476278
0.6497 Remote Similarity NPC328763
0.6489 Remote Similarity NPC476227
0.6489 Remote Similarity NPC159767
0.6489 Remote Similarity NPC155506
0.6486 Remote Similarity NPC19555
0.648 Remote Similarity NPC28510
0.6477 Remote Similarity NPC313886
0.6474 Remote Similarity NPC475421
0.6474 Remote Similarity NPC474815
0.6471 Remote Similarity NPC230611
0.6458 Remote Similarity NPC272375
0.6458 Remote Similarity NPC469831
0.645 Remote Similarity NPC323662
0.6448 Remote Similarity NPC19023
0.6448 Remote Similarity NPC306366
0.6443 Remote Similarity NPC262725
0.6441 Remote Similarity NPC254798
0.6435 Remote Similarity NPC186351
0.6433 Remote Similarity NPC64205
0.6432 Remote Similarity NPC108804
0.6432 Remote Similarity NPC108847
0.6432 Remote Similarity NPC476218
0.6429 Remote Similarity NPC316224
0.6425 Remote Similarity NPC477816
0.6421 Remote Similarity NPC9475
0.6417 Remote Similarity NPC471568
0.6417 Remote Similarity NPC473693
0.6417 Remote Similarity NPC471778
0.6415 Remote Similarity NPC317254
0.641 Remote Similarity NPC232872
0.6406 Remote Similarity NPC476321
0.6404 Remote Similarity NPC476743
0.6402 Remote Similarity NPC473402
0.6402 Remote Similarity NPC227778
0.64 Remote Similarity NPC314287
0.6398 Remote Similarity NPC209463
0.6398 Remote Similarity NPC5932
0.6395 Remote Similarity NPC287358
0.6387 Remote Similarity NPC45037
0.6387 Remote Similarity NPC316161
0.6383 Remote Similarity NPC89831
0.6382 Remote Similarity NPC259791
0.6382 Remote Similarity NPC476205
0.6382 Remote Similarity NPC476256
0.6382 Remote Similarity NPC476206
0.6382 Remote Similarity NPC476129
0.6382 Remote Similarity NPC476257
0.6382 Remote Similarity NPC476212
0.6382 Remote Similarity NPC476207
0.6379 Remote Similarity NPC477838
0.6379 Remote Similarity NPC477837
0.6373 Remote Similarity NPC471526
0.6373 Remote Similarity NPC167763
0.6373 Remote Similarity NPC470112
0.6373 Remote Similarity NPC470903
0.6369 Remote Similarity NPC476744

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC83241 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
0.7283 Intermediate Similarity NPD6045 Phase 3
0.7066 Intermediate Similarity NPD7978 Discontinued
0.7041 Intermediate Similarity NPD3400 Discontinued
0.7037 Intermediate Similarity NPD3136 Phase 2
0.6968 Remote Similarity NPD3153 Approved
0.6968 Remote Similarity NPD3154 Approved
0.6951 Remote Similarity NPD5729 Clinical (unspecified phase)
0.6947 Remote Similarity NPD7630 Phase 3
0.6947 Remote Similarity NPD7628 Phase 3
0.6947 Remote Similarity NPD7629 Clinical (unspecified phase)
0.6932 Remote Similarity NPD6913 Approved
0.6923 Remote Similarity NPD1759 Phase 1
0.691 Remote Similarity NPD3560 Approved
0.691 Remote Similarity NPD3556 Approved
0.691 Remote Similarity NPD3559 Clinical (unspecified phase)
0.691 Remote Similarity NPD3557 Approved
0.691 Remote Similarity NPD3558 Approved
0.6895 Remote Similarity NPD1898 Discontinued
0.6859 Remote Similarity NPD1758 Phase 1
0.6842 Remote Similarity NPD1196 Approved
0.6829 Remote Similarity NPD4738 Phase 2
0.6821 Remote Similarity NPD1543 Discontinued
0.6818 Remote Similarity NPD1634 Approved
0.6791 Remote Similarity NPD6184 Discontinued
0.6784 Remote Similarity NPD1195 Approved
0.678 Remote Similarity NPD3684 Discontinued
0.6761 Remote Similarity NPD1633 Approved
0.6758 Remote Similarity NPD7129 Suspended
0.6686 Remote Similarity NPD9279 Approved
0.6667 Remote Similarity NPD6283 Phase 2
0.6667 Remote Similarity NPD2162 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7972 Discontinued
0.6667 Remote Similarity NPD6104 Discontinued
0.6648 Remote Similarity NPD3453 Discontinued
0.6648 Remote Similarity NPD2366 Approved
0.6648 Remote Similarity NPD9509 Clinical (unspecified phase)
0.66 Remote Similarity NPD7566 Clinical (unspecified phase)
0.6598 Remote Similarity NPD4258 Approved
0.6598 Remote Similarity NPD4259 Approved
0.6595 Remote Similarity NPD4606 Clinical (unspecified phase)
0.6587 Remote Similarity NPD1048 Approved
0.6583 Remote Similarity NPD6874 Approved
0.6575 Remote Similarity NPD4335 Clinical (unspecified phase)
0.6574 Remote Similarity NPD8067 Phase 3
0.6573 Remote Similarity NPD4003 Phase 3
0.6566 Remote Similarity NPD4605 Approved
0.6566 Remote Similarity NPD4604 Approved
0.6556 Remote Similarity NPD2672 Discontinued
0.6554 Remote Similarity NPD4186 Clinical (unspecified phase)
0.6545 Remote Similarity NPD3253 Clinical (unspecified phase)
0.6533 Remote Similarity NPD4668 Phase 2
0.6526 Remote Similarity NPD6211 Clinical (unspecified phase)
0.6519 Remote Similarity NPD3812 Clinical (unspecified phase)
0.6517 Remote Similarity NPD8330 Clinical (unspecified phase)
0.6512 Remote Similarity NPD4086 Phase 1
0.6508 Remote Similarity NPD3965 Phase 1
0.65 Remote Similarity NPD6502 Phase 2
0.6485 Remote Similarity NPD2579 Approved
0.6479 Remote Similarity NPD8356 Approved
0.6471 Remote Similarity NPD6807 Phase 3
0.6471 Remote Similarity NPD6905 Phase 2
0.6464 Remote Similarity NPD980 Clinical (unspecified phase)
0.6461 Remote Similarity NPD6390 Discontinued
0.6452 Remote Similarity NPD2249 Approved
0.6452 Remote Similarity NPD2247 Approved
0.6448 Remote Similarity NPD2996 Approved
0.6435 Remote Similarity NPD8430 Approved
0.6425 Remote Similarity NPD7523 Phase 3
0.6417 Remote Similarity NPD7608 Discontinued
0.6383 Remote Similarity NPD1913 Phase 1
0.6382 Remote Similarity NPD7256 Discontinued
0.6378 Remote Similarity NPD8025 Phase 2
0.6373 Remote Similarity NPD2802 Phase 3
0.6373 Remote Similarity NPD7883 Discontinued
0.6368 Remote Similarity NPD2361 Approved
0.6364 Remote Similarity NPD2681 Approved
0.6364 Remote Similarity NPD2680 Approved
0.6358 Remote Similarity NPD5788 Clinical (unspecified phase)
0.6355 Remote Similarity NPD7476 Discontinued
0.6354 Remote Similarity NPD5445 Approved
0.6349 Remote Similarity NPD3951 Phase 3
0.6349 Remote Similarity NPD2248 Approved
0.6349 Remote Similarity NPD3953 Clinical (unspecified phase)
0.6349 Remote Similarity NPD3952 Approved
0.6349 Remote Similarity NPD2246 Approved
0.6348 Remote Similarity NPD6682 Clinical (unspecified phase)
0.6337 Remote Similarity NPD5609 Approved
0.6337 Remote Similarity NPD5608 Approved
0.6329 Remote Similarity NPD6593 Clinical (unspecified phase)
0.6328 Remote Similarity NPD5595 Clinical (unspecified phase)
0.6327 Remote Similarity NPD6793 Clinical (unspecified phase)
0.6322 Remote Similarity NPD9570 Approved
0.6316 Remote Similarity NPD2359 Approved
0.6313 Remote Similarity NPD1664 Clinical (unspecified phase)
0.631 Remote Similarity NPD6746 Phase 2
0.6308 Remote Similarity NPD8167 Discontinued
0.6305 Remote Similarity NPD2339 Phase 3
0.6304 Remote Similarity NPD6060 Clinical (unspecified phase)
0.6302 Remote Similarity NPD5557 Phase 1
0.6296 Remote Similarity NPD4083 Discontinued
0.6294 Remote Similarity NPD5558 Clinical (unspecified phase)
0.6292 Remote Similarity NPD3141 Discontinued
0.6289 Remote Similarity NPD4954 Approved
0.6289 Remote Similarity NPD5026 Approved
0.6289 Remote Similarity NPD36 Approved
0.6289 Remote Similarity NPD5034 Approved
0.6289 Remote Similarity NPD5028 Approved
0.6289 Remote Similarity NPD4955 Approved
0.6284 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6284 Remote Similarity NPD7105 Phase 1
0.6283 Remote Similarity NPD3909 Discontinued
0.628 Remote Similarity NPD7043 Discontinued
0.6279 Remote Similarity NPD555 Phase 2
0.6277 Remote Similarity NPD2821 Approved
0.6272 Remote Similarity NPD6359 Clinical (unspecified phase)
0.627 Remote Similarity NPD7318 Phase 3
0.6269 Remote Similarity NPD6833 Clinical (unspecified phase)
0.6264 Remote Similarity NPD6867 Clinical (unspecified phase)
0.6264 Remote Similarity NPD6866 Clinical (unspecified phase)
0.6256 Remote Similarity NPD7565 Approved
0.6256 Remote Similarity NPD5035 Approved
0.625 Remote Similarity NPD9277 Approved
0.625 Remote Similarity NPD7596 Clinical (unspecified phase)
0.625 Remote Similarity NPD8019 Approved
0.625 Remote Similarity NPD75 Approved
0.6244 Remote Similarity NPD4951 Discontinued
0.6244 Remote Similarity NPD2498 Approved
0.6243 Remote Similarity NPD7131 Phase 3
0.6243 Remote Similarity NPD1839 Phase 1
0.6237 Remote Similarity NPD5030 Phase 2
0.6231 Remote Similarity NPD5871 Discontinued
0.6231 Remote Similarity NPD5076 Approved
0.6231 Remote Similarity NPD5077 Approved
0.6226 Remote Similarity NPD181 Approved
0.6221 Remote Similarity NPD756 Suspended
0.6216 Remote Similarity NPD7599 Phase 2
0.6215 Remote Similarity NPD7292 Approved
0.6211 Remote Similarity NPD2216 Approved
0.6211 Remote Similarity NPD2215 Approved
0.6211 Remote Similarity NPD4150 Clinical (unspecified phase)
0.6211 Remote Similarity NPD9342 Approved
0.6207 Remote Similarity NPD3552 Approved
0.6207 Remote Similarity NPD3553 Approved
0.6207 Remote Similarity NPD3554 Approved
0.6207 Remote Similarity NPD3555 Approved
0.6205 Remote Similarity NPD5108 Clinical (unspecified phase)
0.6204 Remote Similarity NPD6298 Discontinued
0.6196 Remote Similarity NPD3778 Approved
0.6196 Remote Similarity NPD2218 Phase 2
0.6196 Remote Similarity NPD2217 Approved
0.6196 Remote Similarity NPD7118 Clinical (unspecified phase)
0.6193 Remote Similarity NPD9275 Approved
0.6193 Remote Similarity NPD9276 Approved
0.6193 Remote Similarity NPD9278 Suspended
0.6193 Remote Similarity NPD9274 Approved
0.6193 Remote Similarity NPD7083 Clinical (unspecified phase)
0.6186 Remote Similarity NPD3823 Discontinued
0.6186 Remote Similarity NPD7959 Clinical (unspecified phase)
0.6184 Remote Similarity NPD4465 Phase 2
0.6184 Remote Similarity NPD4467 Phase 2
0.6175 Remote Similarity NPD5811 Approved
0.6173 Remote Similarity NPD9568 Approved
0.6172 Remote Similarity NPD7302 Phase 3
0.6172 Remote Similarity NPD7300 Phase 3
0.6171 Remote Similarity NPD1169 Approved
0.6169 Remote Similarity NPD7125 Discontinued
0.6169 Remote Similarity NPD5150 Phase 2
0.6163 Remote Similarity NPD259 Phase 1
0.6163 Remote Similarity NPD840 Approved
0.6163 Remote Similarity NPD7477 Discontinued
0.6163 Remote Similarity NPD839 Approved
0.6163 Remote Similarity NPD520 Approved
0.6162 Remote Similarity NPD7317 Phase 3
0.6162 Remote Similarity NPD5038 Approved
0.6162 Remote Similarity NPD7495 Discontinued
0.6162 Remote Similarity NPD5037 Approved
0.6158 Remote Similarity NPD6162 Approved
0.6158 Remote Similarity NPD4168 Approved
0.6158 Remote Similarity NPD6161 Approved
0.6154 Remote Similarity NPD8014 Clinical (unspecified phase)
0.615 Remote Similarity NPD2995 Approved
0.6147 Remote Similarity NPD8367 Approved
0.6145 Remote Similarity NPD1835 Phase 1
0.6141 Remote Similarity NPD3296 Phase 1
0.6138 Remote Similarity NPD3251 Approved
0.6136 Remote Similarity NPD7450 Phase 2
0.6134 Remote Similarity NPD7695 Clinical (unspecified phase)
0.6131 Remote Similarity NPD2792 Approved
0.6131 Remote Similarity NPD9587 Clinical (unspecified phase)
0.6127 Remote Similarity NPD825 Approved
0.6127 Remote Similarity NPD1393 Approved
0.6127 Remote Similarity NPD826 Approved
0.6127 Remote Similarity NPD2203 Discontinued
0.612 Remote Similarity NPD950 Clinical (unspecified phase)
0.6119 Remote Similarity NPD4740 Approved
0.6117 Remote Similarity NPD6604 Discontinued
0.6117 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6111 Remote Similarity NPD1348 Approved
0.6111 Remote Similarity NPD8492 Approved
0.6111 Remote Similarity NPD5036 Approved

Structure

External Identifiers

PubChem CID   245869
ChEMBL   CHEMBL436605
ZINC  

Physicochemical Properties

Molecular Weight:  520.24
ALogP:  -0.9775
MLogP:  3.11
XLogP:  4.841
# Rotatable Bonds:  18
Polar Surface Area:  164.31
# H-Bond Aceptor:  10
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  37

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Biological Activities  
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