Natural Product: NPC131258

Natural Product ID:  NPC131258
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C39H43N3O11S
Standard InCHIKey:  PKVRCIRHQMSYJX-AIFWHQITSA-N
Standard InCHI:  InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1
Canonical SMILES:  COc1cc2c(cc1O)CCN[C@@]12CS[C@@H]2c3c(OC(=O)C)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@@H]2N([C@H]([C@@H]1O)Cc1c2c(O)c(c(c1)C)OC)C)OCO4
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
NPO25273 Ecteinascidia turbinata Species Perophoridae Eukaryota PMID[24941346]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 4.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 16.8 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 21.9 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 15.4 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 21.3 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 21.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 34.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 118.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 60.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4771.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4327.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8412.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 385.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 43.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6007 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 66.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 77 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26.8 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 61644.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 87.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 42.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15848.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9520.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48966.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 49 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 0.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 616.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 28183.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24336.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 0.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26603.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 243.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13685.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2818.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 0.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14960.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 306.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 100000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 167.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 42.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24541.2 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 NPC131258 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
0.9732 High Similarity NPC133864
0.9561 High Similarity NPC473786
0.7689 Intermediate Similarity NPC315914
0.7611 Intermediate Similarity NPC473660
0.7568 Intermediate Similarity NPC24260
0.7534 Intermediate Similarity NPC256124
0.7523 Intermediate Similarity NPC60295
0.7523 Intermediate Similarity NPC191132
0.7522 Intermediate Similarity NPC475654
0.7489 Intermediate Similarity NPC46990
0.7477 Intermediate Similarity NPC11296
0.7477 Intermediate Similarity NPC48490
0.7477 Intermediate Similarity NPC175890
0.7477 Intermediate Similarity NPC274661
0.7477 Intermediate Similarity NPC82457
0.7477 Intermediate Similarity NPC281581
0.746 Intermediate Similarity NPC319774
0.7458 Intermediate Similarity NPC82056
0.7407 Intermediate Similarity NPC211215
0.7387 Intermediate Similarity NPC116465
0.7387 Intermediate Similarity NPC212237
0.7381 Intermediate Similarity NPC314743
0.7373 Intermediate Similarity NPC38964
0.7364 Intermediate Similarity NPC44040
0.7354 Intermediate Similarity NPC186546
0.7354 Intermediate Similarity NPC275680
0.7354 Intermediate Similarity NPC476576
0.7354 Intermediate Similarity NPC22115
0.7347 Intermediate Similarity NPC316292
0.7321 Intermediate Similarity NPC206900
0.7309 Intermediate Similarity NPC139783
0.7309 Intermediate Similarity NPC65312
0.7309 Intermediate Similarity NPC57036
0.7303 Intermediate Similarity NPC252156
0.7297 Intermediate Similarity NPC274716
0.7297 Intermediate Similarity NPC254441
0.7297 Intermediate Similarity NPC167116
0.7288 Intermediate Similarity NPC315253
0.7276 Intermediate Similarity NPC185031
0.7265 Intermediate Similarity NPC302245
0.7265 Intermediate Similarity NPC95426
0.7265 Intermediate Similarity NPC16357
0.7257 Intermediate Similarity NPC473746
0.7257 Intermediate Similarity NPC117717
0.7252 Intermediate Similarity NPC104196
0.7252 Intermediate Similarity NPC239824
0.7252 Intermediate Similarity NPC54654
0.7252 Intermediate Similarity NPC299990
0.7252 Intermediate Similarity NPC285931
0.7252 Intermediate Similarity NPC181796
0.7252 Intermediate Similarity NPC229373
0.7252 Intermediate Similarity NPC279228
0.7252 Intermediate Similarity NPC15414
0.7252 Intermediate Similarity NPC8836
0.7252 Intermediate Similarity NPC185639
0.7252 Intermediate Similarity NPC271013
0.7252 Intermediate Similarity NPC311973
0.7252 Intermediate Similarity NPC30779
0.7252 Intermediate Similarity NPC258657
0.7252 Intermediate Similarity NPC222661
0.7252 Intermediate Similarity NPC49075
0.7252 Intermediate Similarity NPC182052
0.7252 Intermediate Similarity NPC42663
0.7252 Intermediate Similarity NPC90998
0.7252 Intermediate Similarity NPC223690
0.7252 Intermediate Similarity NPC217748
0.7252 Intermediate Similarity NPC290005
0.7252 Intermediate Similarity NPC73492
0.7252 Intermediate Similarity NPC290582
0.7252 Intermediate Similarity NPC251735
0.7252 Intermediate Similarity NPC328155
0.7252 Intermediate Similarity NPC7715
0.7225 Intermediate Similarity NPC478092
0.7225 Intermediate Similarity NPC478091
0.7225 Intermediate Similarity NPC30182
0.7225 Intermediate Similarity NPC473589
0.7212 Intermediate Similarity NPC473716
0.7212 Intermediate Similarity NPC475754
0.7212 Intermediate Similarity NPC475597
0.7207 Intermediate Similarity NPC286119
0.7207 Intermediate Similarity NPC239584
0.7197 Intermediate Similarity NPC475180
0.7191 Intermediate Similarity NPC153365
0.7181 Intermediate Similarity NPC478093
0.7168 Intermediate Similarity NPC82763
0.7162 Intermediate Similarity NPC475479
0.7162 Intermediate Similarity NPC243454
0.7149 Intermediate Similarity NPC257728
0.7143 Intermediate Similarity NPC135772
0.7137 Intermediate Similarity NPC314946
0.713 Intermediate Similarity NPC477561
0.713 Intermediate Similarity NPC257269
0.713 Intermediate Similarity NPC312918
0.713 Intermediate Similarity NPC230276
0.713 Intermediate Similarity NPC155442
0.713 Intermediate Similarity NPC476574
0.7107 Intermediate Similarity NPC170101
0.7106 Intermediate Similarity NPC257266
0.7085 Intermediate Similarity NPC40496
0.7085 Intermediate Similarity NPC119068
0.7085 Intermediate Similarity NPC258695
0.7085 Intermediate Similarity NPC470879
0.7082 Intermediate Similarity NPC119818
0.7082 Intermediate Similarity NPC328700
0.7082 Intermediate Similarity NPC202771
0.7082 Intermediate Similarity NPC2173
0.708 Intermediate Similarity NPC230098
0.708 Intermediate Similarity NPC14507
0.708 Intermediate Similarity NPC47077
0.708 Intermediate Similarity NPC214116
0.7072 Intermediate Similarity NPC293093
0.7069 Intermediate Similarity NPC242728
0.7059 Intermediate Similarity NPC2314
0.7054 Intermediate Similarity NPC474506
0.7054 Intermediate Similarity NPC32413
0.7034 Intermediate Similarity NPC11708
0.7026 Intermediate Similarity NPC267414
0.7021 Intermediate Similarity NPC477666
0.7013 Intermediate Similarity NPC234318
0.7009 Intermediate Similarity NPC474507
0.7 Intermediate Similarity NPC471563
0.7 Intermediate Similarity NPC469816
0.7 Intermediate Similarity NPC469815
0.6992 Remote Similarity NPC80472
0.6991 Remote Similarity NPC156576
0.6983 Remote Similarity NPC314914
0.6983 Remote Similarity NPC50548
0.6983 Remote Similarity NPC328856
0.6983 Remote Similarity NPC478046
0.6983 Remote Similarity NPC478047
0.6983 Remote Similarity NPC321226
0.6983 Remote Similarity NPC180210
0.6982 Remote Similarity NPC152680
0.6982 Remote Similarity NPC190783
0.6982 Remote Similarity NPC251580
0.6982 Remote Similarity NPC232386
0.6982 Remote Similarity NPC129518
0.6982 Remote Similarity NPC12424
0.6982 Remote Similarity NPC41376
0.6968 Remote Similarity NPC109925
0.6966 Remote Similarity NPC316164
0.6964 Remote Similarity NPC114364
0.6964 Remote Similarity NPC23219
0.6964 Remote Similarity NPC320223
0.6955 Remote Similarity NPC284236
0.6955 Remote Similarity NPC316368
0.6951 Remote Similarity NPC229166
0.6951 Remote Similarity NPC199465
0.6951 Remote Similarity NPC128560
0.6947 Remote Similarity NPC248642
0.6947 Remote Similarity NPC116284
0.6947 Remote Similarity NPC476575
0.6942 Remote Similarity NPC478048
0.6941 Remote Similarity NPC24465
0.694 Remote Similarity NPC144314
0.694 Remote Similarity NPC204580
0.6937 Remote Similarity NPC108434
0.6937 Remote Similarity NPC115284
0.6937 Remote Similarity NPC10908
0.6937 Remote Similarity NPC317145
0.6937 Remote Similarity NPC276890
0.6937 Remote Similarity NPC76682
0.6937 Remote Similarity NPC475215
0.6937 Remote Similarity NPC227060
0.6937 Remote Similarity NPC63646
0.6937 Remote Similarity NPC198498
0.6937 Remote Similarity NPC317439
0.6933 Remote Similarity NPC32154
0.692 Remote Similarity NPC173416
0.692 Remote Similarity NPC112575
0.692 Remote Similarity NPC148709
0.692 Remote Similarity NPC476577
0.6917 Remote Similarity NPC3921
0.6916 Remote Similarity NPC302275
0.691 Remote Similarity NPC124302
0.691 Remote Similarity NPC83019
0.691 Remote Similarity NPC215098
0.691 Remote Similarity NPC46744
0.691 Remote Similarity NPC73020
0.691 Remote Similarity NPC70290
0.691 Remote Similarity NPC14622
0.6909 Remote Similarity NPC13916
0.6909 Remote Similarity NPC264850
0.6907 Remote Similarity NPC254581
0.6897 Remote Similarity NPC149962
0.6897 Remote Similarity NPC470646
0.6897 Remote Similarity NPC125924
0.6894 Remote Similarity NPC201055
0.6894 Remote Similarity NPC64576
0.6894 Remote Similarity NPC254045
0.6894 Remote Similarity NPC151470
0.6889 Remote Similarity NPC329816
0.688 Remote Similarity NPC123859
0.6875 Remote Similarity NPC477558
0.6872 Remote Similarity NPC275132
0.6864 Remote Similarity NPC121275
0.6864 Remote Similarity NPC238530
0.6864 Remote Similarity NPC286135
0.6864 Remote Similarity NPC232514
0.6864 Remote Similarity NPC276944

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC131258 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
1.0 High Similarity NPD8153 Approved
1.0 High Similarity NPD8152 Approved
0.7556 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7783 Phase 2
0.7468 Intermediate Similarity NPD7827 Phase 1
0.7364 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7269 Intermediate Similarity NPD7667 Clinical (unspecified phase)
0.7252 Intermediate Similarity NPD8054 Approved
0.7252 Intermediate Similarity NPD8053 Approved
0.7175 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD7224 Discontinued
0.7172 Intermediate Similarity NPD7223 Discontinued
0.7149 Intermediate Similarity NPD7585 Approved
0.7106 Intermediate Similarity NPD7583 Approved
0.7098 Intermediate Similarity NPD6851 Approved
0.7098 Intermediate Similarity NPD6853 Approved
0.7085 Intermediate Similarity NPD8453 Clinical (unspecified phase)
0.7082 Intermediate Similarity NPD5005 Approved
0.7082 Intermediate Similarity NPD5006 Approved
0.7004 Intermediate Similarity NPD7701 Phase 2
0.6982 Remote Similarity NPD8156 Discontinued
0.6937 Remote Similarity NPD8252 Approved
0.6937 Remote Similarity NPD8099 Discontinued
0.6937 Remote Similarity NPD8251 Approved
0.6932 Remote Similarity NPD6625 Approved
0.6932 Remote Similarity NPD6723 Discontinued
0.693 Remote Similarity NPD7906 Approved
0.692 Remote Similarity NPD6297 Approved
0.691 Remote Similarity NPD4420 Approved
0.6894 Remote Similarity NPD2493 Approved
0.6894 Remote Similarity NPD3452 Approved
0.6894 Remote Similarity NPD3450 Approved
0.6894 Remote Similarity NPD2494 Approved
0.6849 Remote Similarity NPD7999 Approved
0.6835 Remote Similarity NPD7680 Approved
0.6835 Remote Similarity NPD7696 Phase 3
0.6835 Remote Similarity NPD7697 Approved
0.6835 Remote Similarity NPD7698 Approved
0.6831 Remote Similarity NPD7930 Approved
0.682 Remote Similarity NPD6973 Clinical (unspecified phase)
0.682 Remote Similarity NPD7584 Approved
0.6818 Remote Similarity NPD5677 Discontinued
0.6814 Remote Similarity NPD7038 Approved
0.6814 Remote Similarity NPD7039 Approved
0.6807 Remote Similarity NPD4582 Approved
0.6807 Remote Similarity NPD4040 Phase 1
0.6807 Remote Similarity NPD4583 Approved
0.6807 Remote Similarity NPD7871 Phase 2
0.6807 Remote Similarity NPD7870 Phase 2
0.68 Remote Similarity NPD8058 Clinical (unspecified phase)
0.68 Remote Similarity NPD8059 Phase 3
0.6789 Remote Similarity NPD8318 Clinical (unspecified phase)
0.6787 Remote Similarity NPD6107 Approved
0.6774 Remote Similarity NPD6997 Phase 2
0.6765 Remote Similarity NPD4002 Approved
0.6765 Remote Similarity NPD4004 Approved
0.6763 Remote Similarity NPD8151 Discontinued
0.6736 Remote Similarity NPD8319 Approved
0.6736 Remote Similarity NPD8320 Phase 1
0.6732 Remote Similarity NPD7942 Clinical (unspecified phase)
0.6723 Remote Similarity NPD2975 Approved
0.6723 Remote Similarity NPD2974 Approved
0.6723 Remote Similarity NPD2973 Approved
0.6711 Remote Similarity NPD7228 Approved
0.6709 Remote Similarity NPD6777 Approved
0.6709 Remote Similarity NPD6779 Approved
0.6709 Remote Similarity NPD6781 Approved
0.6709 Remote Similarity NPD6780 Approved
0.6709 Remote Similarity NPD6778 Approved
0.6709 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6709 Remote Similarity NPD6782 Approved
0.6709 Remote Similarity NPD6776 Approved
0.6708 Remote Similarity NPD7801 Approved
0.668 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7907 Approved
0.6667 Remote Similarity NPD4663 Approved
0.6653 Remote Similarity NPD6823 Phase 2
0.6652 Remote Similarity NPD2490 Approved
0.6652 Remote Similarity NPD2488 Approved
0.6639 Remote Similarity NPD4580 Approved
0.6629 Remote Similarity NPD8461 Discontinued
0.6624 Remote Similarity NPD7700 Phase 2
0.6624 Remote Similarity NPD7699 Phase 2
0.6609 Remote Similarity NPD7280 Phase 3
0.6609 Remote Similarity NPD7235 Clinical (unspecified phase)
0.6609 Remote Similarity NPD7281 Phase 3
0.6608 Remote Similarity NPD5844 Phase 1
0.6606 Remote Similarity NPD4581 Clinical (unspecified phase)
0.6599 Remote Similarity NPD7047 Phase 3
0.6589 Remote Similarity NPD7048 Phase 3
0.6567 Remote Similarity NPD6842 Approved
0.6567 Remote Similarity NPD6843 Phase 3
0.6567 Remote Similarity NPD6841 Approved
0.6565 Remote Similarity NPD7549 Discontinued
0.6556 Remote Similarity NPD7435 Discontinued
0.6552 Remote Similarity NPD5087 Clinical (unspecified phase)
0.6545 Remote Similarity NPD7298 Approved
0.6537 Remote Similarity NPD4578 Approved
0.6537 Remote Similarity NPD4577 Approved
0.6535 Remote Similarity NPD8469 Approved
0.6531 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6531 Remote Similarity NPD7874 Approved
0.6518 Remote Similarity NPD4666 Phase 3
0.6516 Remote Similarity NPD6818 Clinical (unspecified phase)
0.6516 Remote Similarity NPD2977 Approved
0.6516 Remote Similarity NPD2978 Approved
0.6513 Remote Similarity NPD6621 Clinical (unspecified phase)
0.6504 Remote Similarity NPD5676 Approved
0.6504 Remote Similarity NPD5242 Approved
0.6498 Remote Similarity NPD6535 Approved
0.6498 Remote Similarity NPD6534 Approved
0.6494 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6489 Remote Similarity NPD7199 Phase 2
0.6473 Remote Similarity NPD5709 Phase 3
0.6473 Remote Similarity NPD6234 Discontinued
0.6473 Remote Similarity NPD7922 Phase 1
0.6466 Remote Similarity NPD7312 Approved
0.6466 Remote Similarity NPD7311 Approved
0.6466 Remote Similarity NPD7310 Approved
0.6466 Remote Similarity NPD7313 Approved
0.6463 Remote Similarity NPD42 Phase 2
0.6463 Remote Similarity NPD6042 Phase 2
0.6458 Remote Similarity NPD7811 Phase 3
0.6458 Remote Similarity NPD7810 Phase 3
0.6458 Remote Similarity NPD8285 Discontinued
0.6456 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6456 Remote Similarity NPD6212 Phase 3
0.6456 Remote Similarity NPD6213 Phase 3
0.6454 Remote Similarity NPD4665 Approved
0.6454 Remote Similarity NPD4111 Phase 1
0.644 Remote Similarity NPD5980 Discovery
0.6438 Remote Similarity NPD7309 Approved
0.6435 Remote Similarity NPD7074 Phase 3
0.6434 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6432 Remote Similarity NPD5457 Discontinued
0.6431 Remote Similarity NPD8491 Approved
0.6431 Remote Similarity NPD8492 Approved
0.6422 Remote Similarity NPD7132 Clinical (unspecified phase)
0.6414 Remote Similarity NPD7296 Approved
0.6404 Remote Similarity NPD27 Approved
0.6404 Remote Similarity NPD8367 Approved
0.6404 Remote Similarity NPD2489 Approved
0.6404 Remote Similarity NPD4481 Phase 3
0.6403 Remote Similarity NPD8366 Approved
0.6397 Remote Similarity NPD7708 Approved
0.6396 Remote Similarity NPD37 Approved
0.6395 Remote Similarity NPD2971 Approved
0.6395 Remote Similarity NPD2968 Approved
0.639 Remote Similarity NPD8095 Phase 1
0.6388 Remote Similarity NPD3051 Approved
0.6388 Remote Similarity NPD7229 Phase 3
0.6388 Remote Similarity NPD5711 Approved
0.6388 Remote Similarity NPD5710 Approved
0.6384 Remote Similarity NPD4966 Approved
0.6384 Remote Similarity NPD4965 Approved
0.6384 Remote Similarity NPD4967 Phase 2
0.6384 Remote Similarity NPD6788 Approved
0.6379 Remote Similarity NPD7240 Approved
0.6371 Remote Similarity NPD3808 Clinical (unspecified phase)
0.6364 Remote Similarity NPD7803 Approved
0.636 Remote Similarity NPD7184 Clinical (unspecified phase)
0.636 Remote Similarity NPD2969 Approved
0.636 Remote Similarity NPD2970 Approved
0.6356 Remote Similarity NPD4435 Approved
0.6348 Remote Similarity NPD6620 Discovery
0.6329 Remote Similarity NPD8397 Clinical (unspecified phase)
0.632 Remote Similarity NPD5313 Approved
0.632 Remote Similarity NPD7054 Approved
0.632 Remote Similarity NPD5312 Approved
0.6316 Remote Similarity NPD6071 Discontinued
0.6314 Remote Similarity NPD7862 Clinical (unspecified phase)
0.6314 Remote Similarity NPD4434 Approved
0.6311 Remote Similarity NPD7590 Clinical (unspecified phase)
0.631 Remote Similarity NPD8404 Phase 2
0.6307 Remote Similarity NPD5564 Approved
0.6301 Remote Similarity NPD7607 Clinical (unspecified phase)
0.6301 Remote Similarity NPD8161 Suspended
0.63 Remote Similarity NPD7956 Approved
0.63 Remote Similarity NPD7955 Approved
0.6293 Remote Similarity NPD7472 Approved
0.6286 Remote Similarity NPD7497 Discontinued
0.6278 Remote Similarity NPD4773 Phase 2
0.6278 Remote Similarity NPD4772 Phase 2
0.6277 Remote Similarity NPD5940 Clinical (unspecified phase)
0.6273 Remote Similarity NPD6090 Discontinued
0.6273 Remote Similarity NPD2675 Approved
0.6273 Remote Similarity NPD2676 Approved
0.6271 Remote Similarity NPD8055 Clinical (unspecified phase)
0.627 Remote Similarity NPD8149 Discontinued
0.6269 Remote Similarity NPD8067 Phase 3
0.6261 Remote Similarity NPD3451 Clinical (unspecified phase)
0.626 Remote Similarity NPD2899 Discontinued
0.625 Remote Similarity NPD3384 Approved
0.625 Remote Similarity NPD3382 Approved
0.625 Remote Similarity NPD3383 Approved
0.6245 Remote Similarity NPD2491 Approved
0.6245 Remote Similarity NPD4166 Phase 2
0.6245 Remote Similarity NPD3057 Approved
0.6245 Remote Similarity NPD3863 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   108150
ChEMBL   CHEMBL450449
ZINC  

Physicochemical Properties

Molecular Weight:  761.26
ALogP:  -0.4285
MLogP:  4.1
XLogP:  1.694
# Rotatable Bonds:  13
Polar Surface Area:  194.02
# H-Bond Aceptor:  7
# H-Bond Donor:  4
# Rings:  8
# Heavy Atoms:  54

Download Data

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