Natural Product: NPC184225

Natural Product ID:  NPC184225
Common Name:   Thaxtomin A
IUPAC Name:   (3R,6S)-3-hydroxy-3-[(3-hydroxyphenyl)methyl]-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
Synonyms:  
Molecular Formula:   C22H22N4O6
Standard InCHIKey:  QRDNJYNIEGRRKV-PGRDOPGGSA-N
Standard InCHI:  InChI=1S/C22H22N4O6/c1-24-18(10-14-12-23-16-7-4-8-17(19(14)16)26(31)32)20(28)25(2)22(30,21(24)29)11-13-5-3-6-15(27)9-13/h3-9,12,18,23,27,30H,10-11H2,1-2H3/t18-,22+/m0/s1
Canonical SMILES:  Oc1cccc(c1)C[C@]1(O)N(C)C(=O)[C@@H](N(C1=O)C)Cc1c[nH]c2c1c(ccc2)N(=O)=O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   BGC0000444 ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO16088.9 Streptomyces scabies 87.67 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.32 Streptomyces scabies dnk-g01 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.35 Streptomyces scabies s-7 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO2500.15 Streptomyces turgidiscabies ss-13 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088 Streptomyces scabiei Species Streptomycetaceae Bacteria StreptomeDB*
NPO2500.12 Streptomyces turgidiscabies ko-g-6 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.6 Streptomyces scabies 85.30 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO14510.4 Streptomyces acidiscabies 85.06 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.28 Streptomyces scabies dnk-020 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO2500.2 Streptomyces turgidiscabies car-8 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO2500.6 Streptomyces turgidiscabies hi-c-20 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.31 Streptomyces scabies dnk-043 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.12 Streptomyces scabies 94.17 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.30 Streptomyces scabies dnk-034 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.24 Streptomyces scabies cek-038a Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO2500.3 Streptomyces turgidiscabies hi-c-13 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.19 Streptomyces scabies atcc 49173 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.26 Streptomyces scabies dnk-005 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.21 Streptomyces scabies cek-018 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.5 Streptomyces scabies 85.08 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO14510.2 Streptomyces acidiscabies 84-182 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.3 Streptomyces scabies 84.70 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO22810 Streptomyces Species Streptomycetaceae Bacteria StreptomeDB*
NPO14510 Streptomyces acidiscabies Species Streptomycetaceae Bacteria StreptomeDB*
NPO16088.10 Streptomyces scabies 89 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.25 Streptomyces scabies cek-038b Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.37 Streptomyces scabies vnt-048 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO2500.11 Streptomyces turgidiscabies ko-g-2 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO2500.7 Streptomyces turgidiscabies hi-c-36 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO14510.6 Streptomyces acidiscabies atcc 49003 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.23 Streptomyces scabies cek-037b Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.14 Streptomyces scabies 95.01 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.8 Streptomyces scabies 87.22 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.33 Streptomyces scabies pon-p Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.4 Streptomyces scabies 84-102 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO2500.16 Streptomyces turgidiscabies ss-9 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.13 Streptomyces scabies 94.34 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.29 Streptomyces scabies dnk-025a Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.17 Streptomyces scabies 96.15 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.27 Streptomyces scabies dnk-007 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.34 Streptomyces scabies s-64 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO14510.8 Streptomyces acidiscabies s-66 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO2500.5 Streptomyces turgidiscabies hi-c-19 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO2500.1 Streptomyces turgidiscabies car-3 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.7 Streptomyces scabies 87 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.1 Streptomyces scabies 84.232 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.20 Streptomyces scabies cek-010 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO14510.1 Streptomyces acidiscabies 84.104 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO2500.13 Streptomyces turgidiscabies s-2 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO2500.8 Streptomyces turgidiscabies hi-r-11 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.15 Streptomyces scabies 95.03 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO2500.14 Streptomyces turgidiscabies ss-12 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO14510.3 Streptomyces acidiscabies 84-45 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.16 Streptomyces scabies 95.14 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO14510.7 Streptomyces acidiscabies atcc 49003t Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.22 Streptomyces scabies cek-037a Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO2500.4 Streptomyces turgidiscabies hi-c-16 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO2500 Streptomyces turgidiscabies Species Streptomycetaceae Bacteria StreptomeDB*
NPO16088.2 Streptomyces scabies 84.42 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.18 Streptomyces scabies atcc 33282 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.11 Streptomyces scabies 92.07 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO14510.5 Streptomyces acidiscabies 90.25 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO16088.36 Streptomyces scabies sb-742 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO2500.9 Streptomyces turgidiscabies hi-r-15 Subspecies Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT5041 Organism Helianthus annuus Helianthus annuus Activity = 0 % 11368592
NPT5041 Organism Helianthus annuus Helianthus annuus Activity = 50 % 11368592
NPT5041 Organism Helianthus annuus Helianthus annuus Activity = 90 % 11368592
NPT5042 Organism Ipomoea hederacea Ipomoea hederacea Activity = 0 % 11368592
NPT5042 Organism Ipomoea hederacea Ipomoea hederacea Activity = 75 % 11368592
NPT5042 Organism Ipomoea hederacea Ipomoea hederacea Activity = 80 % 11368592
NPT522 Organism Abutilon theophrasti Abutilon theophrasti Activity = 0 % 11368592
NPT522 Organism Abutilon theophrasti Abutilon theophrasti Activity = 20 % 11368592
NPT522 Organism Abutilon theophrasti Abutilon theophrasti Activity = 75 % 11368592
NPT522 Organism Abutilon theophrasti Abutilon theophrasti Activity = 80 % 11368592
NPT936 Organism Avena fatua Avena fatua Activity = 100 % 11368592
NPT117 Organism Echinochloa crus-galli Echinochloa crus-galli Activity = 98 % 11368592
NPT117 Organism Echinochloa crus-galli Echinochloa crus-galli Activity = 100 % 11368592
NPT5042 Organism Ipomoea hederacea Ipomoea hederacea Activity = 100 % 11368592
NPT5041 Organism Helianthus annuus Helianthus annuus Activity = 70 % 11368592
NPT5041 Organism Helianthus annuus Helianthus annuus Activity = 100 % 11368592
NPT936 Organism Avena fatua Avena fatua Activity = 0 % 11368592
NPT936 Organism Avena fatua Avena fatua Activity = 30 % 11368592
NPT936 Organism Avena fatua Avena fatua Activity = 20 % 11368592
NPT936 Organism Avena fatua Avena fatua Activity = 80 % 11368592
NPT117 Organism Echinochloa crus-galli Echinochloa crus-galli Activity = 10 % 11368592
NPT117 Organism Echinochloa crus-galli Echinochloa crus-galli Activity = 20 % 11368592
NPT117 Organism Echinochloa crus-galli Echinochloa crus-galli Activity = 40 % 11368592
NPT117 Organism Echinochloa crus-galli Echinochloa crus-galli Activity = 85 % 11368592
NPT5042 Organism Ipomoea hederacea Ipomoea hederacea Activity = 70 % 11368592
NPT5042 Organism Ipomoea hederacea Ipomoea hederacea Activity = 85 % 11368592
NPT5041 Organism Helianthus annuus Helianthus annuus Activity = 75 % 11368592
NPT5041 Organism Helianthus annuus Helianthus annuus Activity = 85 % 11368592
NPT822 Organism Lemna minor Lemna minor Activity = 30 % 11368592
NPT822 Organism Lemna minor Lemna minor Activity = 70 % 11368592
NPT822 Organism Lemna minor Lemna minor Activity = 95 % 11368592
NPT822 Organism Lemna minor Lemna minor Activity = 100 % 11368592
NPT823 Organism Agrostis stolonifera var. palustris Agrostis stolonifera var. palustris Activity = 50 % 11368592
NPT823 Organism Agrostis stolonifera var. palustris Agrostis stolonifera var. palustris Activity = 80 % 11368592
NPT823 Organism Agrostis stolonifera var. palustris Agrostis stolonifera var. palustris Activity = 100 % 11368592

  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 NPC184225 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
0.8259 Intermediate Similarity NPC319232
0.8259 Intermediate Similarity NPC24370
0.823 Intermediate Similarity NPC326363
0.8202 Intermediate Similarity NPC323752
0.8087 Intermediate Similarity NPC325976
0.8009 Intermediate Similarity NPC476098
0.7972 Intermediate Similarity NPC475070
0.7953 Intermediate Similarity NPC315491
0.7953 Intermediate Similarity NPC45459
0.79 Intermediate Similarity NPC270918
0.7821 Intermediate Similarity NPC477549
0.7755 Intermediate Similarity NPC478006
0.7738 Intermediate Similarity NPC88008
0.7731 Intermediate Similarity NPC171393
0.7731 Intermediate Similarity NPC295452
0.7725 Intermediate Similarity NPC94752
0.7713 Intermediate Similarity NPC5145
0.7711 Intermediate Similarity NPC315467
0.771 Intermediate Similarity NPC99666
0.7709 Intermediate Similarity NPC281049
0.7706 Intermediate Similarity NPC213308
0.768 Intermediate Similarity NPC478009
0.768 Intermediate Similarity NPC478010
0.7679 Intermediate Similarity NPC41679
0.7664 Intermediate Similarity NPC117244
0.7664 Intermediate Similarity NPC473763
0.7664 Intermediate Similarity NPC314882
0.7655 Intermediate Similarity NPC478157
0.765 Intermediate Similarity NPC156704
0.7642 Intermediate Similarity NPC171171
0.7635 Intermediate Similarity NPC178858
0.7629 Intermediate Similarity NPC214142
0.7617 Intermediate Similarity NPC54803
0.7617 Intermediate Similarity NPC207686
0.7617 Intermediate Similarity NPC321592
0.7609 Intermediate Similarity NPC473317
0.7607 Intermediate Similarity NPC223409
0.76 Intermediate Similarity NPC314056
0.7597 Intermediate Similarity NPC118559
0.7597 Intermediate Similarity NPC304307
0.7597 Intermediate Similarity NPC124920
0.7597 Intermediate Similarity NPC34580
0.7597 Intermediate Similarity NPC261251
0.7594 Intermediate Similarity NPC314002
0.7589 Intermediate Similarity NPC478158
0.7588 Intermediate Similarity NPC304926
0.7588 Intermediate Similarity NPC476041
0.7585 Intermediate Similarity NPC323198
0.758 Intermediate Similarity NPC476167
0.757 Intermediate Similarity NPC213629
0.7569 Intermediate Similarity NPC77555
0.7568 Intermediate Similarity NPC470500
0.7564 Intermediate Similarity NPC100547
0.7563 Intermediate Similarity NPC28945
0.7563 Intermediate Similarity NPC15801
0.7555 Intermediate Similarity NPC264285
0.7547 Intermediate Similarity NPC228835
0.7547 Intermediate Similarity NPC204717
0.7546 Intermediate Similarity NPC324149
0.7544 Intermediate Similarity NPC469928
0.7544 Intermediate Similarity NPC322064
0.7534 Intermediate Similarity NPC192315
0.7534 Intermediate Similarity NPC171317
0.7533 Intermediate Similarity NPC207866
0.7532 Intermediate Similarity NPC95240
0.7532 Intermediate Similarity NPC322135
0.7531 Intermediate Similarity NPC470784
0.7529 Intermediate Similarity NPC478012
0.7529 Intermediate Similarity NPC478011
0.7523 Intermediate Similarity NPC17059
0.7511 Intermediate Similarity NPC27041
0.7511 Intermediate Similarity NPC125597
0.7511 Intermediate Similarity NPC162860
0.751 Intermediate Similarity NPC473312
0.751 Intermediate Similarity NPC478013
0.75 Intermediate Similarity NPC54420
0.75 Intermediate Similarity NPC314176
0.75 Intermediate Similarity NPC220765
0.75 Intermediate Similarity NPC14288
0.749 Intermediate Similarity NPC184680
0.7489 Intermediate Similarity NPC276657
0.7488 Intermediate Similarity NPC32771
0.748 Intermediate Similarity NPC153400
0.7478 Intermediate Similarity NPC303658
0.7478 Intermediate Similarity NPC85273
0.7477 Intermediate Similarity NPC211813
0.7467 Intermediate Similarity NPC477111
0.7466 Intermediate Similarity NPC470497
0.7465 Intermediate Similarity NPC165495
0.7458 Intermediate Similarity NPC470785
0.7458 Intermediate Similarity NPC82472
0.7455 Intermediate Similarity NPC470499
0.7447 Intermediate Similarity NPC6215
0.7441 Intermediate Similarity NPC11126
0.7437 Intermediate Similarity NPC220852
0.7437 Intermediate Similarity NPC284888
0.7435 Intermediate Similarity NPC469727
0.7435 Intermediate Similarity NPC305984
0.7434 Intermediate Similarity NPC476116
0.7425 Intermediate Similarity NPC16352
0.7417 Intermediate Similarity NPC285343
0.7412 Intermediate Similarity NPC219087
0.7411 Intermediate Similarity NPC473376
0.7406 Intermediate Similarity NPC33064
0.7406 Intermediate Similarity NPC245055
0.7403 Intermediate Similarity NPC477714
0.7391 Intermediate Similarity NPC330009
0.7387 Intermediate Similarity NPC249040
0.7378 Intermediate Similarity NPC477113
0.7376 Intermediate Similarity NPC306376
0.7371 Intermediate Similarity NPC269270
0.7361 Intermediate Similarity NPC46580
0.7359 Intermediate Similarity NPC477715
0.7358 Intermediate Similarity NPC126709
0.7358 Intermediate Similarity NPC248041
0.7358 Intermediate Similarity NPC283219
0.7357 Intermediate Similarity NPC61038
0.7353 Intermediate Similarity NPC475859
0.7353 Intermediate Similarity NPC475969
0.7353 Intermediate Similarity NPC474877
0.7342 Intermediate Similarity NPC194740
0.7339 Intermediate Similarity NPC272174
0.7339 Intermediate Similarity NPC14686
0.7336 Intermediate Similarity NPC471193
0.7336 Intermediate Similarity NPC75634
0.7336 Intermediate Similarity NPC6865
0.7336 Intermediate Similarity NPC471194
0.7336 Intermediate Similarity NPC153980
0.733 Intermediate Similarity NPC227582
0.7327 Intermediate Similarity NPC321708
0.7319 Intermediate Similarity NPC229893
0.7316 Intermediate Similarity NPC477110
0.7315 Intermediate Similarity NPC235684
0.7311 Intermediate Similarity NPC477176
0.7311 Intermediate Similarity NPC145885
0.7311 Intermediate Similarity NPC84827
0.7311 Intermediate Similarity NPC477175
0.7311 Intermediate Similarity NPC14113
0.7311 Intermediate Similarity NPC470729
0.7311 Intermediate Similarity NPC470730
0.7311 Intermediate Similarity NPC184964
0.7308 Intermediate Similarity NPC60621
0.7306 Intermediate Similarity NPC471448
0.7301 Intermediate Similarity NPC175602
0.7293 Intermediate Similarity NPC82370
0.7293 Intermediate Similarity NPC72956
0.7292 Intermediate Similarity NPC63279
0.7289 Intermediate Similarity NPC53144
0.7284 Intermediate Similarity NPC475816
0.728 Intermediate Similarity NPC477177
0.728 Intermediate Similarity NPC476451
0.7277 Intermediate Similarity NPC220851
0.7277 Intermediate Similarity NPC475506
0.7277 Intermediate Similarity NPC219336
0.7273 Intermediate Similarity NPC237740
0.7269 Intermediate Similarity NPC56109
0.7269 Intermediate Similarity NPC53344
0.7269 Intermediate Similarity NPC191382
0.7265 Intermediate Similarity NPC293917
0.7265 Intermediate Similarity NPC100321
0.7264 Intermediate Similarity NPC267885
0.7262 Intermediate Similarity NPC74619
0.7261 Intermediate Similarity NPC182222
0.7261 Intermediate Similarity NPC297642
0.7261 Intermediate Similarity NPC110182
0.7261 Intermediate Similarity NPC97902
0.7258 Intermediate Similarity NPC26543
0.7254 Intermediate Similarity NPC81175
0.7252 Intermediate Similarity NPC74153
0.725 Intermediate Similarity NPC165743
0.7249 Intermediate Similarity NPC471304
0.7246 Intermediate Similarity NPC130570
0.7244 Intermediate Similarity NPC155143
0.724 Intermediate Similarity NPC276517
0.7237 Intermediate Similarity NPC171787
0.7234 Intermediate Similarity NPC474896
0.7232 Intermediate Similarity NPC252338
0.723 Intermediate Similarity NPC15573
0.723 Intermediate Similarity NPC217372
0.723 Intermediate Similarity NPC183662
0.7229 Intermediate Similarity NPC54744
0.7229 Intermediate Similarity NPC266931
0.7229 Intermediate Similarity NPC477610
0.7227 Intermediate Similarity NPC186351
0.7222 Intermediate Similarity NPC475746
0.7222 Intermediate Similarity NPC74360
0.7222 Intermediate Similarity NPC313804
0.7222 Intermediate Similarity NPC315804
0.722 Intermediate Similarity NPC473640
0.722 Intermediate Similarity NPC131887
0.7217 Intermediate Similarity NPC203468
0.7217 Intermediate Similarity NPC110500
0.7217 Intermediate Similarity NPC149155
0.7216 Intermediate Similarity NPC152620
0.7212 Intermediate Similarity NPC200836
0.7208 Intermediate Similarity NPC477112
0.7203 Intermediate Similarity NPC155444
0.7203 Intermediate Similarity NPC31097
0.7195 Intermediate Similarity NPC307963
0.7189 Intermediate Similarity NPC15102

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC184225 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
0.8525 High Similarity NPD8405 Clinical (unspecified phase)
0.8507 High Similarity NPD7603 Discontinued
0.7965 Intermediate Similarity NPD5040 Clinical (unspecified phase)
0.7953 Intermediate Similarity NPD484 Approved
0.79 Intermediate Similarity NPD6838 Clinical (unspecified phase)
0.7814 Intermediate Similarity NPD7948 Phase 1
0.7757 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7743 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7679 Intermediate Similarity NPD7470 Discontinued
0.7652 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7566 Intermediate Similarity NPD4852 Phase 2
0.7566 Intermediate Similarity NPD7594 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD5559 Phase 2
0.7558 Intermediate Similarity NPD7618 Phase 3
0.7558 Intermediate Similarity NPD7619 Phase 3
0.75 Intermediate Similarity NPD8493 Clinical (unspecified phase)
0.7489 Intermediate Similarity NPD8093 Discontinued
0.7467 Intermediate Similarity NPD6376 Discontinued
0.7464 Intermediate Similarity NPD5065 Approved
0.7431 Intermediate Similarity NPD9695 Approved
0.7395 Intermediate Similarity NPD4885 Approved
0.7389 Intermediate Similarity NPD2916 Discontinued
0.7364 Intermediate Similarity NPD7791 Approved
0.7364 Intermediate Similarity NPD7952 Approved
0.7364 Intermediate Similarity NPD7790 Approved
0.7364 Intermediate Similarity NPD7953 Approved
0.7364 Intermediate Similarity NPD7789 Approved
0.7364 Intermediate Similarity NPD7950 Approved
0.7364 Intermediate Similarity NPD7951 Approved
0.7361 Intermediate Similarity NPD6141 Clinical (unspecified phase)
0.7336 Intermediate Similarity NPD2092 Phase 2
0.7336 Intermediate Similarity NPD2095 Phase 2
0.7336 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7336 Intermediate Similarity NPD2094 Phase 2
0.7333 Intermediate Similarity NPD5901 Discontinued
0.7333 Intermediate Similarity NPD7712 Clinical (unspecified phase)
0.7325 Intermediate Similarity NPD7998 Clinical (unspecified phase)
0.7318 Intermediate Similarity NPD7944 Discontinued
0.7316 Intermediate Similarity NPD6803 Clinical (unspecified phase)
0.7316 Intermediate Similarity NPD5612 Discontinued
0.7306 Intermediate Similarity NPD6665 Discontinued
0.7306 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.7304 Intermediate Similarity NPD3243 Approved
0.7302 Intermediate Similarity NPD2091 Phase 2
0.7302 Intermediate Similarity NPD2096 Phase 2
0.73 Intermediate Similarity NPD6164 Phase 2
0.73 Intermediate Similarity NPD7730 Approved
0.73 Intermediate Similarity NPD7731 Approved
0.73 Intermediate Similarity NPD6165 Phase 2
0.73 Intermediate Similarity NPD4845 Discontinued
0.7288 Intermediate Similarity NPD7271 Approved
0.7287 Intermediate Similarity NPD4558 Phase 2
0.7277 Intermediate Similarity NPD8356 Approved
0.7269 Intermediate Similarity NPD7781 Approved
0.7269 Intermediate Similarity NPD7780 Approved
0.7265 Intermediate Similarity NPD7621 Clinical (unspecified phase)
0.7265 Intermediate Similarity NPD6242 Discontinued
0.7257 Intermediate Similarity NPD5426 Phase 3
0.7238 Intermediate Similarity NPD7824 Approved
0.7229 Intermediate Similarity NPD8094 Discontinued
0.7227 Intermediate Similarity NPD8430 Approved
0.7225 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.7217 Intermediate Similarity NPD482 Approved
0.72 Intermediate Similarity NPD7903 Clinical (unspecified phase)
0.7195 Intermediate Similarity NPD1038 Approved
0.7189 Intermediate Similarity NPD5482 Discontinued
0.7186 Intermediate Similarity NPD3330 Phase 1
0.7183 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD3960 Clinical (unspecified phase)
0.7162 Intermediate Similarity NPD7665 Phase 2
0.7162 Intermediate Similarity NPD7666 Phase 3
0.7156 Intermediate Similarity NPD4184 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD8013 Clinical (unspecified phase)
0.7137 Intermediate Similarity NPD8406 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD4511 Phase 1
0.712 Intermediate Similarity NPD3809 Discontinued
0.7117 Intermediate Similarity NPD802 Phase 2
0.7111 Intermediate Similarity NPD7000 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD6999 Discontinued
0.711 Intermediate Similarity NPD6610 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD8272 Phase 2
0.71 Intermediate Similarity NPD7809 Clinical (unspecified phase)
0.7098 Intermediate Similarity NPD6530 Approved
0.7098 Intermediate Similarity NPD6531 Approved
0.7091 Intermediate Similarity NPD6965 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD750 Phase 2
0.7076 Intermediate Similarity NPD7203 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD6449 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD4897 Phase 2
0.7049 Intermediate Similarity NPD2757 Phase 2
0.7042 Intermediate Similarity NPD8289 Discontinued
0.704 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.7036 Intermediate Similarity NPD4926 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD8396 Approved
0.7035 Intermediate Similarity NPD8395 Approved
0.7034 Intermediate Similarity NPD4429 Discontinued
0.7032 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7028 Intermediate Similarity NPD3959 Phase 2
0.7028 Intermediate Similarity NPD3962 Phase 2
0.7022 Intermediate Similarity NPD6664 Approved
0.7021 Intermediate Similarity NPD7112 Discontinued
0.7016 Intermediate Similarity NPD3914 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD7558 Phase 2
0.7004 Intermediate Similarity NPD8017 Clinical (unspecified phase)
0.7004 Intermediate Similarity NPD8016 Phase 3
0.7 Intermediate Similarity NPD3932 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7393 Clinical (unspecified phase)
0.6996 Remote Similarity NPD3404 Approved
0.6996 Remote Similarity NPD8106 Phase 2
0.6996 Remote Similarity NPD7655 Discontinued
0.6992 Remote Similarity NPD3440 Clinical (unspecified phase)
0.6984 Remote Similarity NPD3986 Discontinued
0.6974 Remote Similarity NPD8349 Phase 1
0.6974 Remote Similarity NPD5017 Discontinued
0.6971 Remote Similarity NPD7426 Phase 1
0.697 Remote Similarity NPD3930 Clinical (unspecified phase)
0.6968 Remote Similarity NPD3961 Discontinued
0.6967 Remote Similarity NPD6263 Clinical (unspecified phase)
0.696 Remote Similarity NPD2177 Approved
0.696 Remote Similarity NPD2175 Phase 3
0.696 Remote Similarity NPD4118 Clinical (unspecified phase)
0.696 Remote Similarity NPD3814 Phase 1
0.696 Remote Similarity NPD2176 Approved
0.6955 Remote Similarity NPD6227 Discontinued
0.6955 Remote Similarity NPD7589 Clinical (unspecified phase)
0.6933 Remote Similarity NPD6770 Approved
0.6927 Remote Similarity NPD6595 Phase 3
0.6926 Remote Similarity NPD7001 Phase 3
0.6923 Remote Similarity NPD5939 Approved
0.6923 Remote Similarity NPD5936 Approved
0.6923 Remote Similarity NPD4958 Clinical (unspecified phase)
0.6916 Remote Similarity NPD7204 Clinical (unspecified phase)
0.6914 Remote Similarity NPD6961 Discontinued
0.691 Remote Similarity NPD6529 Discontinued
0.6907 Remote Similarity NPD7971 Clinical (unspecified phase)
0.6907 Remote Similarity NPD7970 Approved
0.6906 Remote Similarity NPD7617 Discontinued
0.6898 Remote Similarity NPD5151 Clinical (unspecified phase)
0.6892 Remote Similarity NPD8431 Approved
0.6891 Remote Similarity NPD3354 Phase 2
0.6885 Remote Similarity NPD5022 Discontinued
0.6883 Remote Similarity NPD4033 Approved
0.6883 Remote Similarity NPD4036 Approved
0.6883 Remote Similarity NPD4035 Approved
0.6883 Remote Similarity NPD4037 Approved
0.6883 Remote Similarity NPD4122 Approved
0.6883 Remote Similarity NPD31 Approved
0.6883 Remote Similarity NPD4038 Approved
0.6883 Remote Similarity NPD32 Approved
0.6883 Remote Similarity NPD4039 Approved
0.6883 Remote Similarity NPD4034 Approved
0.688 Remote Similarity NPD7825 Clinical (unspecified phase)
0.6875 Remote Similarity NPD8246 Approved
0.6875 Remote Similarity NPD8247 Approved
0.6875 Remote Similarity NPD5506 Approved
0.6875 Remote Similarity NPD5507 Approved
0.6872 Remote Similarity NPD4086 Phase 1
0.687 Remote Similarity NPD6975 Discontinued
0.687 Remote Similarity NPD3931 Approved
0.687 Remote Similarity NPD3928 Approved
0.6869 Remote Similarity NPD5069 Clinical (unspecified phase)
0.6867 Remote Similarity NPD7947 Clinical (unspecified phase)
0.6867 Remote Similarity NPD5658 Approved
0.6863 Remote Similarity NPD6724 Clinical (unspecified phase)
0.6861 Remote Similarity NPD8110 Clinical (unspecified phase)
0.6858 Remote Similarity NPD8284 Discontinued
0.6858 Remote Similarity NPD5450 Discontinued
0.6856 Remote Similarity NPD4600 Approved
0.6856 Remote Similarity NPD4601 Approved
0.6853 Remote Similarity NPD7958 Clinical (unspecified phase)
0.6853 Remote Similarity NPD7957 Phase 1
0.6851 Remote Similarity NPD4502 Phase 2
0.6847 Remote Similarity NPD7026 Phase 2
0.6842 Remote Similarity NPD7807 Clinical (unspecified phase)
0.684 Remote Similarity NPD6790 Phase 1
0.684 Remote Similarity NPD5487 Phase 1
0.684 Remote Similarity NPD3777 Phase 3
0.6837 Remote Similarity NPD1325 Approved
0.6837 Remote Similarity NPD1326 Approved
0.6836 Remote Similarity NPD8463 Approved
0.6835 Remote Similarity NPD6203 Clinical (unspecified phase)
0.6831 Remote Similarity NPD3263 Phase 3
0.6828 Remote Similarity NPD7818 Clinical (unspecified phase)
0.6824 Remote Similarity NPD6290 Phase 2
0.6824 Remote Similarity NPD7222 Phase 2
0.6822 Remote Similarity NPD6657 Clinical (unspecified phase)
0.6822 Remote Similarity NPD8091 Phase 3
0.682 Remote Similarity NPD6568 Discontinued
0.6818 Remote Similarity NPD7202 Clinical (unspecified phase)
0.6818 Remote Similarity NPD6752 Phase 1
0.6818 Remote Similarity NPD6753 Phase 1
0.6818 Remote Similarity NPD3178 Discontinued
0.6816 Remote Similarity NPD3486 Clinical (unspecified phase)
0.6816 Remote Similarity NPD2383 Phase 1
0.6816 Remote Similarity NPD6969 Phase 2
0.6816 Remote Similarity NPD6968 Phase 2
0.6815 Remote Similarity NPD3006 Discontinued
0.6815 Remote Similarity NPD4454 Phase 2
0.6812 Remote Similarity NPD3825 Phase 3

Structure

External Identifiers

PubChem CID   180098
ChEMBL   CHEMBL2270642
ZINC  

Physicochemical Properties

Molecular Weight:  438.15
ALogP:  -1.7582
MLogP:  2.78
XLogP:  2.222
# Rotatable Bonds:  10
Polar Surface Area:  140.01
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  32

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Biological Activities  
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