Natural Product: NPC191489

Natural Product ID:  NPC191489
Common Name:   Deserpidine
IUPAC Name:   methyl (1R,15S,17R,18R,19S,20S)-18-methoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Synonyms:   Deserpidine; Harmonyl; Recanescin
Molecular Formula:   C32H38N2O8
Standard InCHIKey:  CVBMAZKKCSYWQR-WCGOZPBSSA-N
Standard InCHI:  InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1
Canonical SMILES:  COC(=O)[C@@H]1[C@@H](OC)[C@@H](C[C@H]2[C@@H]1C[C@H]1N(C2)CCc2c1[nH]c1c2cccc1)OC(=O)c1cc(OC)c(c(c1)OC)OC
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
NPO31159 Rauvolfia vomitoria Species Apocynaceae Eukaryota TCM_Taiwan*
NPO31253 Rauvolfia serpentina Species Apocynaceae Eukaryota TCM_Taiwan*
NPO19864 Fortunes bossfern rhizome NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 IC50 > 200 ug/ml 1710653
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 7943.3 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 7079.5 nM PubChem BioAssay data set
NPT443 Individual Protein Histone acetyltransferase GCN5 Homo sapiens Potency 7079.5 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 1122 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 3981.1 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 379.3 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 56234.1 nM PubChem BioAssay data set
NPT445 Individual Protein Peripheral myelin protein 22 Rattus norvegicus Potency 3978.1 nM PubChem BioAssay data set
NPT445 Individual Protein Peripheral myelin protein 22 Rattus norvegicus Potency 907.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5102.8 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 3349.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14963.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1188.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 841.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1059.3 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 21313.8 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 3757.8 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 2131.4 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 8412.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3349.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33491.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4216.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8412.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11985.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29849.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1188.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 31622.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14125.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26603.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15848.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3548.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13333.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26832.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21131.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6682.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15089 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2113.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1198.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7497.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10590.9 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 18995.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 600.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12589.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21313.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1678.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2391.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1059.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11883.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5308 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5955.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2511.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8912.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5011.9 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 NPC191489 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
0.9827 High Similarity NPC315634
0.9827 High Similarity NPC88923
0.9827 High Similarity NPC100734
0.961 High Similarity NPC284685
0.8362 Intermediate Similarity NPC21638
0.8034 Intermediate Similarity NPC472099
0.8033 Intermediate Similarity NPC113455
0.8023 Intermediate Similarity NPC471303
0.8017 Intermediate Similarity NPC152768
0.8017 Intermediate Similarity NPC148183
0.8008 Intermediate Similarity NPC120239
0.8 Intermediate Similarity NPC476429
0.7897 Intermediate Similarity NPC318068
0.7884 Intermediate Similarity NPC476999
0.7884 Intermediate Similarity NPC474688
0.7878 Intermediate Similarity NPC304837
0.7878 Intermediate Similarity NPC476258
0.7851 Intermediate Similarity NPC474192
0.7851 Intermediate Similarity NPC475720
0.7846 Intermediate Similarity NPC475844
0.7835 Intermediate Similarity NPC129897
0.7828 Intermediate Similarity NPC154922
0.7826 Intermediate Similarity NPC478083
0.7823 Intermediate Similarity NPC124313
0.7819 Intermediate Similarity NPC473105
0.7815 Intermediate Similarity NPC280272
0.7792 Intermediate Similarity NPC476436
0.7787 Intermediate Similarity NPC90875
0.7759 Intermediate Similarity NPC478078
0.7757 Intermediate Similarity NPC237901
0.7757 Intermediate Similarity NPC195788
0.7756 Intermediate Similarity NPC472589
0.7754 Intermediate Similarity NPC169402
0.7742 Intermediate Similarity NPC207283
0.7742 Intermediate Similarity NPC84164
0.7738 Intermediate Similarity NPC473800
0.7734 Intermediate Similarity NPC89549
0.7733 Intermediate Similarity NPC475816
0.7714 Intermediate Similarity NPC476220
0.7714 Intermediate Similarity NPC160113
0.7705 Intermediate Similarity NPC233334
0.7701 Intermediate Similarity NPC473639
0.7677 Intermediate Similarity NPC472588
0.7669 Intermediate Similarity NPC116238
0.7668 Intermediate Similarity NPC67401
0.7668 Intermediate Similarity NPC183537
0.7668 Intermediate Similarity NPC181081
0.766 Intermediate Similarity NPC472098
0.7654 Intermediate Similarity NPC311906
0.7647 Intermediate Similarity NPC303374
0.7647 Intermediate Similarity NPC478080
0.7647 Intermediate Similarity NPC96321
0.7642 Intermediate Similarity NPC294909
0.7642 Intermediate Similarity NPC128265
0.7642 Intermediate Similarity NPC254240
0.7642 Intermediate Similarity NPC199851
0.7642 Intermediate Similarity NPC312870
0.764 Intermediate Similarity NPC260909
0.7631 Intermediate Similarity NPC119134
0.7631 Intermediate Similarity NPC477066
0.7629 Intermediate Similarity NPC300156
0.7625 Intermediate Similarity NPC280799
0.7623 Intermediate Similarity NPC24019
0.7615 Intermediate Similarity NPC52254
0.761 Intermediate Similarity NPC81939
0.76 Intermediate Similarity NPC478081
0.7593 Intermediate Similarity NPC144452
0.7585 Intermediate Similarity NPC264176
0.7583 Intermediate Similarity NPC174760
0.7581 Intermediate Similarity NPC476995
0.7581 Intermediate Similarity NPC182907
0.7581 Intermediate Similarity NPC189903
0.7579 Intermediate Similarity NPC475666
0.7573 Intermediate Similarity NPC473041
0.7573 Intermediate Similarity NPC82070
0.7571 Intermediate Similarity NPC253675
0.757 Intermediate Similarity NPC15406
0.757 Intermediate Similarity NPC188400
0.755 Intermediate Similarity NPC166722
0.7549 Intermediate Similarity NPC17437
0.7549 Intermediate Similarity NPC1608
0.754 Intermediate Similarity NPC108342
0.7539 Intermediate Similarity NPC329982
0.753 Intermediate Similarity NPC478082
0.753 Intermediate Similarity NPC477067
0.7529 Intermediate Similarity NPC77878
0.7521 Intermediate Similarity NPC4687
0.752 Intermediate Similarity NPC217176
0.752 Intermediate Similarity NPC474701
0.751 Intermediate Similarity NPC274640
0.751 Intermediate Similarity NPC184680
0.75 Intermediate Similarity NPC46561
0.75 Intermediate Similarity NPC39370
0.75 Intermediate Similarity NPC215837
0.75 Intermediate Similarity NPC471304
0.749 Intermediate Similarity NPC49672
0.749 Intermediate Similarity NPC475271
0.7489 Intermediate Similarity NPC195461
0.7489 Intermediate Similarity NPC81654
0.7489 Intermediate Similarity NPC79129
0.7489 Intermediate Similarity NPC249150
0.7489 Intermediate Similarity NPC313985
0.7489 Intermediate Similarity NPC49196
0.748 Intermediate Similarity NPC470785
0.7479 Intermediate Similarity NPC39500
0.7479 Intermediate Similarity NPC198503
0.7479 Intermediate Similarity NPC45190
0.747 Intermediate Similarity NPC57453
0.747 Intermediate Similarity NPC295228
0.7469 Intermediate Similarity NPC157931
0.746 Intermediate Similarity NPC329631
0.746 Intermediate Similarity NPC22481
0.746 Intermediate Similarity NPC473540
0.7458 Intermediate Similarity NPC305984
0.7448 Intermediate Similarity NPC146976
0.7446 Intermediate Similarity NPC207620
0.7437 Intermediate Similarity NPC310211
0.7437 Intermediate Similarity NPC308137
0.7431 Intermediate Similarity NPC475648
0.7419 Intermediate Similarity NPC473186
0.7419 Intermediate Similarity NPC169716
0.7417 Intermediate Similarity NPC476114
0.741 Intermediate Similarity NPC470784
0.7409 Intermediate Similarity NPC476998
0.7409 Intermediate Similarity NPC476996
0.7407 Intermediate Similarity NPC477903
0.7406 Intermediate Similarity NPC236668
0.7403 Intermediate Similarity NPC50503
0.7395 Intermediate Similarity NPC87413
0.7393 Intermediate Similarity NPC302807
0.7388 Intermediate Similarity NPC477900
0.7388 Intermediate Similarity NPC26881
0.7388 Intermediate Similarity NPC477899
0.7383 Intermediate Similarity NPC270515
0.7381 Intermediate Similarity NPC253482
0.7381 Intermediate Similarity NPC168922
0.7377 Intermediate Similarity NPC210434
0.7377 Intermediate Similarity NPC477788
0.7374 Intermediate Similarity NPC116701
0.7373 Intermediate Similarity NPC107123
0.7373 Intermediate Similarity NPC249583
0.7368 Intermediate Similarity NPC66777
0.7368 Intermediate Similarity NPC476997
0.7368 Intermediate Similarity NPC476994
0.7368 Intermediate Similarity NPC471762
0.7366 Intermediate Similarity NPC150239
0.7366 Intermediate Similarity NPC225279
0.736 Intermediate Similarity NPC327769
0.7357 Intermediate Similarity NPC196251
0.7357 Intermediate Similarity NPC102338
0.7357 Intermediate Similarity NPC111602
0.7357 Intermediate Similarity NPC63199
0.7355 Intermediate Similarity NPC184408
0.7354 Intermediate Similarity NPC203373
0.7352 Intermediate Similarity NPC210296
0.7344 Intermediate Similarity NPC3207
0.734 Intermediate Similarity NPC9482
0.7339 Intermediate Similarity NPC278525
0.7339 Intermediate Similarity NPC91125
0.7338 Intermediate Similarity NPC328928
0.7338 Intermediate Similarity NPC471978
0.7333 Intermediate Similarity NPC284141
0.7328 Intermediate Similarity NPC473833
0.7328 Intermediate Similarity NPC211920
0.7321 Intermediate Similarity NPC471979
0.732 Intermediate Similarity NPC96584
0.732 Intermediate Similarity NPC255800
0.7317 Intermediate Similarity NPC473449
0.7309 Intermediate Similarity NPC201508
0.7309 Intermediate Similarity NPC316841
0.7306 Intermediate Similarity NPC235364
0.7302 Intermediate Similarity NPC6786
0.7295 Intermediate Similarity NPC323969
0.7295 Intermediate Similarity NPC469439
0.7291 Intermediate Similarity NPC475406
0.7287 Intermediate Similarity NPC134637
0.7284 Intermediate Similarity NPC469594
0.7284 Intermediate Similarity NPC247803
0.7284 Intermediate Similarity NPC174788
0.7283 Intermediate Similarity NPC217554
0.728 Intermediate Similarity NPC13603
0.7276 Intermediate Similarity NPC51388
0.7273 Intermediate Similarity NPC82472
0.7269 Intermediate Similarity NPC172355
0.7265 Intermediate Similarity NPC329793
0.7262 Intermediate Similarity NPC473187
0.7262 Intermediate Similarity NPC327904
0.7262 Intermediate Similarity NPC272549
0.7262 Intermediate Similarity NPC38959
0.7261 Intermediate Similarity NPC221100
0.7261 Intermediate Similarity NPC234078
0.7258 Intermediate Similarity NPC477787
0.7258 Intermediate Similarity NPC257851
0.7258 Intermediate Similarity NPC228377
0.7258 Intermediate Similarity NPC328186
0.7258 Intermediate Similarity NPC122968
0.7258 Intermediate Similarity NPC124029
0.7257 Intermediate Similarity NPC472111
0.7255 Intermediate Similarity NPC166712
0.7254 Intermediate Similarity NPC298436

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC191489 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 NPD7708 Approved
0.9827 High Similarity NPD7803 Approved
0.961 High Similarity NPD7956 Approved
0.961 High Similarity NPD7955 Approved
0.8075 Intermediate Similarity NPD4885 Approved
0.7757 Intermediate Similarity NPD8466 Approved
0.7757 Intermediate Similarity NPD8465 Approved
0.7757 Intermediate Similarity NPD8467 Approved
0.7747 Intermediate Similarity NPD4926 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD7886 Phase 2
0.7733 Intermediate Similarity NPD7885 Phase 2
0.7701 Intermediate Similarity NPD7690 Clinical (unspecified phase)
0.7642 Intermediate Similarity NPD4501 Approved
0.7642 Intermediate Similarity NPD4500 Approved
0.764 Intermediate Similarity NPD8426 Approved
0.764 Intermediate Similarity NPD8459 Approved
0.764 Intermediate Similarity NPD8425 Approved
0.764 Intermediate Similarity NPD8460 Approved
0.7639 Intermediate Similarity NPD5658 Approved
0.7628 Intermediate Similarity NPD6525 Clinical (unspecified phase)
0.7628 Intermediate Similarity NPD5482 Discontinued
0.7623 Intermediate Similarity NPD8429 Approved
0.7623 Intermediate Similarity NPD8428 Approved
0.7623 Intermediate Similarity NPD8427 Approved
0.761 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.7588 Intermediate Similarity NPD8091 Phase 3
0.7573 Intermediate Similarity NPD5632 Approved
0.7549 Intermediate Similarity NPD8358 Approved
0.7529 Intermediate Similarity NPD8363 Approved
0.7529 Intermediate Similarity NPD6503 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD8364 Approved
0.7521 Intermediate Similarity NPD6160 Clinical (unspecified phase)
0.749 Intermediate Similarity NPD7417 Discontinued
0.7489 Intermediate Similarity NPD4600 Approved
0.7489 Intermediate Similarity NPD4601 Approved
0.7473 Intermediate Similarity NPD6745 Discontinued
0.7472 Intermediate Similarity NPD8365 Clinical (unspecified phase)
0.746 Intermediate Similarity NPD6741 Clinical (unspecified phase)
0.746 Intermediate Similarity NPD6716 Phase 1
0.7451 Intermediate Similarity NPD8350 Clinical (unspecified phase)
0.7409 Intermediate Similarity NPD4952 Phase 3
0.7403 Intermediate Similarity NPD8463 Approved
0.7381 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.7373 Intermediate Similarity NPD5488 Discontinued
0.7348 Intermediate Similarity NPD5450 Discontinued
0.7338 Intermediate Similarity NPD8489 Phase 1
0.7331 Intermediate Similarity NPD3006 Discontinued
0.7328 Intermediate Similarity NPD7994 Phase 2
0.7322 Intermediate Similarity NPD6567 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD4373 Phase 2
0.7312 Intermediate Similarity NPD7025 Clinical (unspecified phase)
0.7306 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.73 Intermediate Similarity NPD7862 Clinical (unspecified phase)
0.7295 Intermediate Similarity NPD6242 Discontinued
0.7284 Intermediate Similarity NPD7395 Discontinued
0.7255 Intermediate Similarity NPD1483 Discontinued
0.7233 Intermediate Similarity NPD5805 Approved
0.7231 Intermediate Similarity NPD7859 Phase 2
0.7222 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD7796 Approved
0.7211 Intermediate Similarity NPD7797 Approved
0.7197 Intermediate Similarity NPD6228 Discontinued
0.7191 Intermediate Similarity NPD6773 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD7571 Clinical (unspecified phase)
0.7189 Intermediate Similarity NPD7268 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD6770 Approved
0.7181 Intermediate Similarity NPD8102 Discontinued
0.7167 Intermediate Similarity NPD4506 Discontinued
0.716 Intermediate Similarity NPD5903 Approved
0.716 Intermediate Similarity NPD5902 Approved
0.7131 Intermediate Similarity NPD7589 Clinical (unspecified phase)
0.7131 Intermediate Similarity NPD5479 Discontinued
0.7106 Intermediate Similarity NPD5071 Phase 2
0.7103 Intermediate Similarity NPD6962 Phase 2
0.709 Intermediate Similarity NPD5293 Phase 2
0.7085 Intermediate Similarity NPD5930 Phase 3
0.7078 Intermediate Similarity NPD3815 Phase 1
0.7078 Intermediate Similarity NPD3816 Phase 1
0.707 Intermediate Similarity NPD7729 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD6531 Approved
0.7068 Intermediate Similarity NPD6530 Approved
0.7061 Intermediate Similarity NPD3389 Approved
0.7061 Intermediate Similarity NPD3394 Approved
0.7061 Intermediate Similarity NPD3393 Approved
0.7059 Intermediate Similarity NPD7853 Phase 2
0.7054 Intermediate Similarity NPD6517 Phase 3
0.7052 Intermediate Similarity NPD4328 Approved
0.7051 Intermediate Similarity NPD4418 Discontinued
0.705 Intermediate Similarity NPD4558 Phase 2
0.7047 Intermediate Similarity NPD6625 Approved
0.7047 Intermediate Similarity NPD6494 Phase 2
0.7045 Intermediate Similarity NPD7194 Discontinued
0.7023 Intermediate Similarity NPD7588 Discontinued
0.7022 Intermediate Similarity NPD7689 Approved
0.7021 Intermediate Similarity NPD6550 Discontinued
0.702 Intermediate Similarity NPD6963 Approved
0.702 Intermediate Similarity NPD6964 Approved
0.702 Intermediate Similarity NPD3257 Approved
0.702 Intermediate Similarity NPD5417 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD6790 Phase 1
0.7012 Intermediate Similarity NPD5429 Discontinued
0.7012 Intermediate Similarity NPD3263 Phase 3
0.7008 Intermediate Similarity NPD7069 Discontinued
0.7008 Intermediate Similarity NPD5866 Approved
0.6996 Remote Similarity NPD5801 Clinical (unspecified phase)
0.6992 Remote Similarity NPD5003 Discontinued
0.6992 Remote Similarity NPD8149 Discontinued
0.698 Remote Similarity NPD7558 Phase 2
0.6979 Remote Similarity NPD3324 Clinical (unspecified phase)
0.6977 Remote Similarity NPD8017 Clinical (unspecified phase)
0.6977 Remote Similarity NPD8016 Phase 3
0.6976 Remote Similarity NPD3258 Approved
0.6971 Remote Similarity NPD3003 Approved
0.6967 Remote Similarity NPD5416 Discontinued
0.6964 Remote Similarity NPD7823 Clinical (unspecified phase)
0.6958 Remote Similarity NPD7064 Clinical (unspecified phase)
0.6951 Remote Similarity NPD7538 Clinical (unspecified phase)
0.6948 Remote Similarity NPD8479 Phase 2
0.6948 Remote Similarity NPD7858 Clinical (unspecified phase)
0.6944 Remote Similarity NPD7426 Phase 1
0.6942 Remote Similarity NPD7222 Phase 2
0.6939 Remote Similarity NPD6657 Clinical (unspecified phase)
0.6933 Remote Similarity NPD6874 Approved
0.693 Remote Similarity NPD3920 Phase 2
0.6929 Remote Similarity NPD3946 Clinical (unspecified phase)
0.6926 Remote Similarity NPD6456 Discontinued
0.6917 Remote Similarity NPD5005 Approved
0.6917 Remote Similarity NPD5006 Approved
0.6914 Remote Similarity NPD2509 Approved
0.6914 Remote Similarity NPD2510 Approved
0.6912 Remote Similarity NPD7924 Phase 2
0.6912 Remote Similarity NPD7925 Phase 2
0.6905 Remote Similarity NPD3925 Approved
0.6894 Remote Similarity NPD3924 Approved
0.6894 Remote Similarity NPD3921 Approved
0.6894 Remote Similarity NPD3922 Approved
0.6894 Remote Similarity NPD3923 Approved
0.6891 Remote Similarity NPD4987 Clinical (unspecified phase)
0.689 Remote Similarity NPD7710 Clinical (unspecified phase)
0.6883 Remote Similarity NPD4897 Phase 2
0.688 Remote Similarity NPD5070 Clinical (unspecified phase)
0.6878 Remote Similarity NPD5512 Phase 3
0.6875 Remote Similarity NPD8310 Clinical (unspecified phase)
0.6871 Remote Similarity NPD7181 Phase 3
0.6867 Remote Similarity NPD4429 Discontinued
0.6867 Remote Similarity NPD7878 Phase 2
0.6866 Remote Similarity NPD8461 Discontinued
0.6865 Remote Similarity NPD7547 Clinical (unspecified phase)
0.6863 Remote Similarity NPD5022 Discontinued
0.6857 Remote Similarity NPD5914 Approved
0.6855 Remote Similarity NPD5612 Discontinued
0.6853 Remote Similarity NPD5506 Approved
0.6853 Remote Similarity NPD5507 Approved
0.6844 Remote Similarity NPD8359 Phase 2
0.6844 Remote Similarity NPD6376 Discontinued
0.6844 Remote Similarity NPD6460 Clinical (unspecified phase)
0.6834 Remote Similarity NPD4958 Clinical (unspecified phase)
0.6829 Remote Similarity NPD4502 Phase 2
0.6828 Remote Similarity NPD8255 Phase 2
0.682 Remote Similarity NPD7777 Approved
0.682 Remote Similarity NPD7778 Approved
0.682 Remote Similarity NPD4420 Approved
0.682 Remote Similarity NPD53 Approved
0.6802 Remote Similarity NPD7225 Discontinued
0.68 Remote Similarity NPD8405 Clinical (unspecified phase)
0.68 Remote Similarity NPD6985 Discontinued
0.6795 Remote Similarity NPD5891 Approved
0.6784 Remote Similarity NPD3259 Approved
0.6783 Remote Similarity NPD6723 Discontinued
0.6783 Remote Similarity NPD7922 Phase 1
0.678 Remote Similarity NPD8468 Phase 2
0.678 Remote Similarity NPD8100 Phase 3
0.6776 Remote Similarity NPD2916 Discontinued
0.6773 Remote Similarity NPD6974 Phase 3
0.6773 Remote Similarity NPD3763 Approved
0.6772 Remote Similarity NPD7719 Discontinued
0.677 Remote Similarity NPD7688 Phase 1
0.6767 Remote Similarity NPD6244 Phase 3
0.6767 Remote Similarity NPD6243 Phase 3
0.6765 Remote Similarity NPD6861 Clinical (unspecified phase)
0.676 Remote Similarity NPD4989 Phase 2
0.6755 Remote Similarity NPD3328 Phase 2
0.6749 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6735 Remote Similarity NPD7453 Approved
0.6735 Remote Similarity NPD7452 Approved
0.6733 Remote Similarity NPD8109 Clinical (unspecified phase)
0.6732 Remote Similarity NPD8052 Clinical (unspecified phase)
0.6729 Remote Similarity NPD8442 Discontinued
0.6722 Remote Similarity NPD1768 Approved
0.6721 Remote Similarity NPD5901 Discontinued
0.6721 Remote Similarity NPD4997 Clinical (unspecified phase)
0.6707 Remote Similarity NPD7947 Clinical (unspecified phase)
0.6705 Remote Similarity NPD7620 Phase 2
0.6705 Remote Similarity NPD4846 Phase 2
0.6704 Remote Similarity NPD8101 Phase 3
0.6694 Remote Similarity NPD5530 Phase 1
0.6694 Remote Similarity NPD7958 Clinical (unspecified phase)
0.6694 Remote Similarity NPD7957 Phase 1
0.6693 Remote Similarity NPD5559 Phase 2
0.6692 Remote Similarity NPD6276 Discontinued

Structure

External Identifiers

PubChem CID   8550
ChEMBL   CHEMBL1200515
ZINC  

Physicochemical Properties

Molecular Weight:  578.26
ALogP:  -0.8124
MLogP:  3.88
XLogP:  3.438
# Rotatable Bonds:  14
Polar Surface Area:  108.55
# H-Bond Aceptor:  7
# H-Bond Donor:  1
# Rings:  6
# Heavy Atoms:  42

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