Natural Product: NPC284685

Natural Product ID:  NPC284685
Common Name:   Rescinnamine
IUPAC Name:   methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Synonyms:   Cinnasil; Moderil; Rescinnamine
Molecular Formula:   C35H42N2O9
Standard InCHIKey:  SZLZWPPUNLXJEA-QEGASFHISA-N
Standard InCHI:  InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1
Canonical SMILES:  COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/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
NPO22083 Rauvolfia nitida Species Apocynaceae Eukaryota TCM_Taiwan*
NPO31159 Rauvolfia vomitoria Species Apocynaceae Eukaryota TCM_Taiwan*
NPO31253 Rauvolfia serpentina Species Apocynaceae Eukaryota TCM_Taiwan*
NPO7282 Rauvolfia serpentina Species Apocynaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency = 3264.3 nM PubChem BioAssay data set
NPT864 Individual Protein Lethal(3)malignant brain tumor-like protein 1 Homo sapiens Potency = 35481.3 nM PubChem BioAssay data set
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 = 142487 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 8912.5 nM PubChem BioAssay data set
NPT63 Individual Protein Bromodomain adjacent to zinc finger domain protein 2B Homo sapiens Potency 70794.6 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 70794.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 100000 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 928.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5804.8 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 737.5 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 281.8 nM PubChem BioAssay data set
NPT2971 Individual Protein DNA dC->dU-editing enzyme APOBEC-3F Homo sapiens Potency 3162.3 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 5804.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14125.4 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 18356.4 nM PubChem BioAssay data set
NPT755 Individual Protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12995.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18356.4 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 1835.6 nM PubChem BioAssay data set
NPT160 Individual Protein TAR DNA-binding protein 43 Homo sapiens Potency 3162.3 nM PubChem BioAssay data set
NPT535 Individual Protein Parathyroid hormone receptor Homo sapiens Potency 125892.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8912.5 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 NPC284685 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
0.9784 High Similarity NPC315634
0.9784 High Similarity NPC100734
0.9784 High Similarity NPC88923
0.961 High Similarity NPC191489
0.8559 High Similarity NPC21638
0.837 Intermediate Similarity NPC148183
0.837 Intermediate Similarity NPC152768
0.8125 Intermediate Similarity NPC471303
0.8069 Intermediate Similarity NPC472099
0.7992 Intermediate Similarity NPC237901
0.7992 Intermediate Similarity NPC195788
0.7925 Intermediate Similarity NPC473105
0.7917 Intermediate Similarity NPC476999
0.7871 Intermediate Similarity NPC260909
0.7863 Intermediate Similarity NPC169402
0.7854 Intermediate Similarity NPC81939
0.7848 Intermediate Similarity NPC280272
0.7845 Intermediate Similarity NPC264176
0.7835 Intermediate Similarity NPC89549
0.783 Intermediate Similarity NPC473041
0.7828 Intermediate Similarity NPC184680
0.7823 Intermediate Similarity NPC475666
0.7796 Intermediate Similarity NPC470785
0.7787 Intermediate Similarity NPC305984
0.7778 Intermediate Similarity NPC116238
0.7768 Intermediate Similarity NPC472098
0.7747 Intermediate Similarity NPC478080
0.7737 Intermediate Similarity NPC476429
0.7737 Intermediate Similarity NPC475720
0.7737 Intermediate Similarity NPC474192
0.7733 Intermediate Similarity NPC477066
0.7724 Intermediate Similarity NPC470784
0.7717 Intermediate Similarity NPC478083
0.7702 Intermediate Similarity NPC478081
0.7702 Intermediate Similarity NPC113455
0.7689 Intermediate Similarity NPC174760
0.768 Intermediate Similarity NPC120239
0.7679 Intermediate Similarity NPC96321
0.7671 Intermediate Similarity NPC188400
0.7631 Intermediate Similarity NPC478082
0.7631 Intermediate Similarity NPC477067
0.7629 Intermediate Similarity NPC4687
0.7623 Intermediate Similarity NPC217176
0.7621 Intermediate Similarity NPC475816
0.7613 Intermediate Similarity NPC311906
0.7611 Intermediate Similarity NPC476995
0.7608 Intermediate Similarity NPC303374
0.7605 Intermediate Similarity NPC469594
0.7605 Intermediate Similarity NPC46561
0.7598 Intermediate Similarity NPC128265
0.7598 Intermediate Similarity NPC254240
0.7598 Intermediate Similarity NPC312870
0.7598 Intermediate Similarity NPC199851
0.7598 Intermediate Similarity NPC294909
0.7583 Intermediate Similarity NPC198503
0.7579 Intermediate Similarity NPC17437
0.7578 Intermediate Similarity NPC318068
0.7573 Intermediate Similarity NPC52254
0.756 Intermediate Similarity NPC473540
0.7551 Intermediate Similarity NPC474688
0.755 Intermediate Similarity NPC476258
0.755 Intermediate Similarity NPC304837
0.7542 Intermediate Similarity NPC308137
0.7542 Intermediate Similarity NPC310211
0.7536 Intermediate Similarity NPC207620
0.7532 Intermediate Similarity NPC471304
0.7531 Intermediate Similarity NPC476436
0.7531 Intermediate Similarity NPC82070
0.7522 Intermediate Similarity NPC79129
0.7522 Intermediate Similarity NPC313985
0.7522 Intermediate Similarity NPC195461
0.7522 Intermediate Similarity NPC81654
0.7522 Intermediate Similarity NPC249150
0.7522 Intermediate Similarity NPC49196
0.752 Intermediate Similarity NPC475844
0.7519 Intermediate Similarity NPC129897
0.7511 Intermediate Similarity NPC471080
0.7511 Intermediate Similarity NPC469592
0.751 Intermediate Similarity NPC1608
0.751 Intermediate Similarity NPC60621
0.7509 Intermediate Similarity NPC169716
0.75 Intermediate Similarity NPC295228
0.75 Intermediate Similarity NPC87413
0.75 Intermediate Similarity NPC154922
0.75 Intermediate Similarity NPC124313
0.75 Intermediate Similarity NPC329982
0.749 Intermediate Similarity NPC473800
0.749 Intermediate Similarity NPC67401
0.748 Intermediate Similarity NPC201508
0.748 Intermediate Similarity NPC168922
0.7479 Intermediate Similarity NPC249583
0.7469 Intermediate Similarity NPC471762
0.7469 Intermediate Similarity NPC150239
0.7462 Intermediate Similarity NPC473639
0.746 Intermediate Similarity NPC90875
0.745 Intermediate Similarity NPC119134
0.7449 Intermediate Similarity NPC475271
0.7448 Intermediate Similarity NPC3207
0.7447 Intermediate Similarity NPC475910
0.7446 Intermediate Similarity NPC329747
0.7442 Intermediate Similarity NPC472589
0.7439 Intermediate Similarity NPC476996
0.7439 Intermediate Similarity NPC476998
0.7438 Intermediate Similarity NPC280799
0.7436 Intermediate Similarity NPC300156
0.7435 Intermediate Similarity NPC50503
0.7429 Intermediate Similarity NPC478078
0.7422 Intermediate Similarity NPC133609
0.7421 Intermediate Similarity NPC207283
0.7421 Intermediate Similarity NPC84164
0.7419 Intermediate Similarity NPC255800
0.7419 Intermediate Similarity NPC96584
0.7407 Intermediate Similarity NPC144452
0.7402 Intermediate Similarity NPC469734
0.74 Intermediate Similarity NPC6786
0.7398 Intermediate Similarity NPC476997
0.7398 Intermediate Similarity NPC476994
0.7393 Intermediate Similarity NPC189079
0.739 Intermediate Similarity NPC476220
0.739 Intermediate Similarity NPC160113
0.7389 Intermediate Similarity NPC63199
0.7389 Intermediate Similarity NPC111602
0.7389 Intermediate Similarity NPC102338
0.7389 Intermediate Similarity NPC196251
0.7386 Intermediate Similarity NPC247803
0.7386 Intermediate Similarity NPC303658
0.7379 Intermediate Similarity NPC233334
0.7375 Intermediate Similarity NPC476114
0.7375 Intermediate Similarity NPC330009
0.7371 Intermediate Similarity NPC82472
0.7364 Intermediate Similarity NPC472588
0.7362 Intermediate Similarity NPC284141
0.7362 Intermediate Similarity NPC472111
0.736 Intermediate Similarity NPC473187
0.7355 Intermediate Similarity NPC208084
0.7355 Intermediate Similarity NPC298436
0.7354 Intermediate Similarity NPC183537
0.7354 Intermediate Similarity NPC181081
0.7352 Intermediate Similarity NPC166712
0.7347 Intermediate Similarity NPC473449
0.7344 Intermediate Similarity NPC270515
0.7328 Intermediate Similarity NPC66777
0.7328 Intermediate Similarity NPC274640
0.7328 Intermediate Similarity NPC194740
0.7325 Intermediate Similarity NPC128115
0.7325 Intermediate Similarity NPC477533
0.732 Intermediate Similarity NPC39370
0.732 Intermediate Similarity NPC34770
0.732 Intermediate Similarity NPC277351
0.7315 Intermediate Similarity NPC203373
0.7312 Intermediate Similarity NPC217554
0.7302 Intermediate Similarity NPC474183
0.73 Intermediate Similarity NPC39679
0.7298 Intermediate Similarity NPC24019
0.7296 Intermediate Similarity NPC329793
0.7295 Intermediate Similarity NPC477903
0.7292 Intermediate Similarity NPC39500
0.7291 Intermediate Similarity NPC272549
0.7288 Intermediate Similarity NPC45190
0.7287 Intermediate Similarity NPC157931
0.7287 Intermediate Similarity NPC473188
0.7276 Intermediate Similarity NPC231924
0.7276 Intermediate Similarity NPC477899
0.7276 Intermediate Similarity NPC477900
0.7273 Intermediate Similarity NPC245916
0.7266 Intermediate Similarity NPC58209
0.7265 Intermediate Similarity NPC477788
0.7265 Intermediate Similarity NPC267423
0.7262 Intermediate Similarity NPC182907
0.7262 Intermediate Similarity NPC215837
0.7262 Intermediate Similarity NPC189903
0.7256 Intermediate Similarity NPC478009
0.7255 Intermediate Similarity NPC15406
0.7251 Intermediate Similarity NPC253675
0.7251 Intermediate Similarity NPC327769
0.725 Intermediate Similarity NPC296482
0.725 Intermediate Similarity NPC53069
0.725 Intermediate Similarity NPC202768
0.7246 Intermediate Similarity NPC16452
0.7246 Intermediate Similarity NPC476581
0.7246 Intermediate Similarity NPC36229
0.7243 Intermediate Similarity NPC174788
0.724 Intermediate Similarity NPC473186
0.724 Intermediate Similarity NPC321592
0.724 Intermediate Similarity NPC54803
0.7238 Intermediate Similarity NPC123976
0.7238 Intermediate Similarity NPC167860
0.7235 Intermediate Similarity NPC471978
0.7234 Intermediate Similarity NPC199277
0.7234 Intermediate Similarity NPC135887
0.7233 Intermediate Similarity NPC11408
0.7233 Intermediate Similarity NPC166722
0.7231 Intermediate Similarity NPC469928
0.7222 Intermediate Similarity NPC108342
0.7222 Intermediate Similarity NPC57453
0.722 Intermediate Similarity NPC221100
0.722 Intermediate Similarity NPC77878
0.722 Intermediate Similarity NPC302807
0.722 Intermediate Similarity NPC234078
0.7218 Intermediate Similarity NPC315467

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC284685 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 NPD7955 Approved
1.0 High Similarity NPD7956 Approved
0.9784 High Similarity NPD7803 Approved
0.961 High Similarity NPD7708 Approved
0.8109 Intermediate Similarity NPD4885 Approved
0.7992 Intermediate Similarity NPD8465 Approved
0.7992 Intermediate Similarity NPD8466 Approved
0.7992 Intermediate Similarity NPD8467 Approved
0.7982 Intermediate Similarity NPD5658 Approved
0.7871 Intermediate Similarity NPD8426 Approved
0.7871 Intermediate Similarity NPD8425 Approved
0.7871 Intermediate Similarity NPD8460 Approved
0.7871 Intermediate Similarity NPD8459 Approved
0.7854 Intermediate Similarity NPD8427 Approved
0.7854 Intermediate Similarity NPD8429 Approved
0.7854 Intermediate Similarity NPD8428 Approved
0.7761 Intermediate Similarity NPD8363 Approved
0.7761 Intermediate Similarity NPD8364 Approved
0.7729 Intermediate Similarity NPD5482 Discontinued
0.7708 Intermediate Similarity NPD4926 Clinical (unspecified phase)
0.7701 Intermediate Similarity NPD8365 Clinical (unspecified phase)
0.7679 Intermediate Similarity NPD5632 Approved
0.7664 Intermediate Similarity NPD7690 Clinical (unspecified phase)
0.7621 Intermediate Similarity NPD7025 Clinical (unspecified phase)
0.7598 Intermediate Similarity NPD4500 Approved
0.7598 Intermediate Similarity NPD4501 Approved
0.7589 Intermediate Similarity NPD6525 Clinical (unspecified phase)
0.7579 Intermediate Similarity NPD8358 Approved
0.7559 Intermediate Similarity NPD6503 Clinical (unspecified phase)
0.7555 Intermediate Similarity NPD8489 Phase 1
0.7549 Intermediate Similarity NPD8091 Phase 3
0.7529 Intermediate Similarity NPD7859 Phase 2
0.7522 Intermediate Similarity NPD4601 Approved
0.7522 Intermediate Similarity NPD4600 Approved
0.75 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.748 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.7479 Intermediate Similarity NPD5902 Approved
0.7479 Intermediate Similarity NPD5903 Approved
0.747 Intermediate Similarity NPD5488 Discontinued
0.745 Intermediate Similarity NPD7417 Discontinued
0.7443 Intermediate Similarity NPD5450 Discontinued
0.741 Intermediate Similarity NPD7886 Phase 2
0.741 Intermediate Similarity NPD7885 Phase 2
0.7397 Intermediate Similarity NPD5930 Phase 3
0.7371 Intermediate Similarity NPD7729 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD4952 Phase 3
0.7355 Intermediate Similarity NPD7194 Discontinued
0.7349 Intermediate Similarity NPD6494 Phase 2
0.7336 Intermediate Similarity NPD6160 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD6964 Approved
0.732 Intermediate Similarity NPD6963 Approved
0.7309 Intermediate Similarity NPD7796 Approved
0.7309 Intermediate Similarity NPD7797 Approved
0.729 Intermediate Similarity NPD6228 Discontinued
0.7288 Intermediate Similarity NPD3003 Approved
0.728 Intermediate Similarity NPD6567 Clinical (unspecified phase)
0.728 Intermediate Similarity NPD7558 Phase 2
0.728 Intermediate Similarity NPD4373 Phase 2
0.7265 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD3816 Phase 1
0.725 Intermediate Similarity NPD3815 Phase 1
0.7231 Intermediate Similarity NPD8463 Approved
0.7229 Intermediate Similarity NPD7589 Clinical (unspecified phase)
0.722 Intermediate Similarity NPD7571 Clinical (unspecified phase)
0.7218 Intermediate Similarity NPD6773 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD6716 Phase 1
0.7211 Intermediate Similarity NPD6741 Clinical (unspecified phase)
0.7189 Intermediate Similarity NPD6745 Discontinued
0.7184 Intermediate Similarity NPD5070 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD7069 Discontinued
0.7177 Intermediate Similarity NPD7426 Phase 1
0.7149 Intermediate Similarity NPD7994 Phase 2
0.7149 Intermediate Similarity NPD7268 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD8350 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD7862 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD8359 Phase 2
0.7119 Intermediate Similarity NPD5417 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD6242 Discontinued
0.711 Intermediate Similarity NPD8255 Phase 2
0.7109 Intermediate Similarity NPD6790 Phase 1
0.7102 Intermediate Similarity NPD7395 Discontinued
0.7102 Intermediate Similarity NPD6985 Discontinued
0.7087 Intermediate Similarity NPD3006 Discontinued
0.7083 Intermediate Similarity NPD2916 Discontinued
0.7082 Intermediate Similarity NPD4418 Discontinued
0.7082 Intermediate Similarity NPD1483 Discontinued
0.7082 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD8102 Discontinued
0.7063 Intermediate Similarity NPD6962 Phase 2
0.7061 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD5805 Approved
0.7051 Intermediate Similarity NPD6550 Discontinued
0.705 Intermediate Similarity NPD6243 Phase 3
0.705 Intermediate Similarity NPD6244 Phase 3
0.7034 Intermediate Similarity NPD1768 Approved
0.7021 Intermediate Similarity NPD5003 Discontinued
0.7009 Intermediate Similarity NPD3324 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD6625 Approved
0.7004 Intermediate Similarity NPD6770 Approved
0.7004 Intermediate Similarity NPD8017 Clinical (unspecified phase)
0.7004 Intermediate Similarity NPD8016 Phase 3
0.6988 Remote Similarity NPD7620 Phase 2
0.6983 Remote Similarity NPD4506 Discontinued
0.698 Remote Similarity NPD4897 Phase 2
0.698 Remote Similarity NPD5293 Phase 2
0.6971 Remote Similarity NPD7222 Phase 2
0.6971 Remote Similarity NPD5429 Discontinued
0.6962 Remote Similarity NPD6230 Discontinued
0.696 Remote Similarity NPD3920 Phase 2
0.6957 Remote Similarity NPD5479 Discontinued
0.6957 Remote Similarity NPD7181 Phase 3
0.6953 Remote Similarity NPD7853 Phase 2
0.6951 Remote Similarity NPD3393 Approved
0.6951 Remote Similarity NPD3389 Approved
0.6951 Remote Similarity NPD3394 Approved
0.695 Remote Similarity NPD6517 Phase 3
0.6948 Remote Similarity NPD5506 Approved
0.6948 Remote Similarity NPD5507 Approved
0.6935 Remote Similarity NPD3763 Approved
0.6923 Remote Similarity NPD3923 Approved
0.6923 Remote Similarity NPD3921 Approved
0.6923 Remote Similarity NPD3924 Approved
0.6923 Remote Similarity NPD3922 Approved
0.6917 Remote Similarity NPD7710 Clinical (unspecified phase)
0.6905 Remote Similarity NPD7674 Phase 3
0.6905 Remote Similarity NPD7676 Clinical (unspecified phase)
0.6905 Remote Similarity NPD7675 Phase 3
0.6905 Remote Similarity NPD3263 Phase 3
0.6898 Remote Similarity NPD5866 Approved
0.6888 Remote Similarity NPD3946 Clinical (unspecified phase)
0.6883 Remote Similarity NPD5612 Discontinued
0.6882 Remote Similarity NPD4558 Phase 2
0.6877 Remote Similarity NPD4328 Approved
0.6877 Remote Similarity NPD3259 Approved
0.6875 Remote Similarity NPD6723 Discontinued
0.6865 Remote Similarity NPD3925 Approved
0.6865 Remote Similarity NPD7719 Discontinued
0.6861 Remote Similarity NPD7689 Approved
0.6857 Remote Similarity NPD4502 Phase 2
0.6857 Remote Similarity NPD5416 Discontinued
0.6842 Remote Similarity NPD3257 Approved
0.684 Remote Similarity NPD6530 Approved
0.684 Remote Similarity NPD8479 Phase 2
0.684 Remote Similarity NPD6531 Approved
0.6838 Remote Similarity NPD7673 Phase 3
0.6835 Remote Similarity NPD5512 Phase 3
0.6831 Remote Similarity NPD1392 Approved
0.6828 Remote Similarity NPD8461 Discontinued
0.6827 Remote Similarity NPD8109 Clinical (unspecified phase)
0.6827 Remote Similarity NPD8405 Clinical (unspecified phase)
0.6827 Remote Similarity NPD6456 Discontinued
0.6824 Remote Similarity NPD5801 Clinical (unspecified phase)
0.6818 Remote Similarity NPD4795 Phase 2
0.6816 Remote Similarity NPD8442 Discontinued
0.6815 Remote Similarity NPD8149 Discontinued
0.6806 Remote Similarity NPD8100 Phase 3
0.6805 Remote Similarity NPD5005 Approved
0.6805 Remote Similarity NPD5006 Approved
0.6803 Remote Similarity NPD2509 Approved
0.6803 Remote Similarity NPD2510 Approved
0.68 Remote Similarity NPD3258 Approved
0.6791 Remote Similarity NPD8244 Phase 2
0.679 Remote Similarity NPD5530 Phase 1
0.678 Remote Similarity NPD6276 Discontinued
0.6778 Remote Similarity NPD5071 Phase 2
0.6778 Remote Similarity NPD4987 Clinical (unspecified phase)
0.6778 Remote Similarity NPD53 Approved
0.6778 Remote Similarity NPD7778 Approved
0.6778 Remote Similarity NPD7777 Approved
0.6774 Remote Similarity NPD7538 Clinical (unspecified phase)
0.6773 Remote Similarity NPD7858 Clinical (unspecified phase)
0.6762 Remote Similarity NPD7453 Approved
0.6762 Remote Similarity NPD7452 Approved
0.6761 Remote Similarity NPD6657 Clinical (unspecified phase)
0.6759 Remote Similarity NPD7547 Clinical (unspecified phase)
0.6759 Remote Similarity NPD7548 Discontinued
0.6758 Remote Similarity NPD8052 Clinical (unspecified phase)
0.6756 Remote Similarity NPD4875 Phase 3
0.6756 Remote Similarity NPD4876 Phase 3
0.6752 Remote Similarity NPD7924 Phase 2
0.6752 Remote Similarity NPD7925 Phase 2
0.675 Remote Similarity NPD6874 Approved
0.6736 Remote Similarity NPD6621 Clinical (unspecified phase)
0.6736 Remote Similarity NPD6769 Clinical (unspecified phase)
0.6735 Remote Similarity NPD7947 Clinical (unspecified phase)
0.6729 Remote Similarity NPD7588 Discontinued
0.6729 Remote Similarity NPD8101 Phase 3
0.6724 Remote Similarity NPD8310 Clinical (unspecified phase)
0.6721 Remote Similarity NPD4901 Clinical (unspecified phase)
0.6721 Remote Similarity NPD7958 Clinical (unspecified phase)
0.6721 Remote Similarity NPD8403 Phase 1
0.6721 Remote Similarity NPD7957 Phase 1
0.6719 Remote Similarity NPD5559 Phase 2
0.6714 Remote Similarity NPD6814 Phase 3
0.6708 Remote Similarity NPD7064 Clinical (unspecified phase)
0.6706 Remote Similarity NPD7603 Discontinued
0.6704 Remote Similarity NPD7169 Suspended
0.6701 Remote Similarity NPD8421 Discontinued
0.6695 Remote Similarity NPD2565 Phase 2

Structure

External Identifiers

PubChem CID   5280954
ChEMBL   CHEMBL1668
ZINC  

Physicochemical Properties

Molecular Weight:  634.29
ALogP:  -0.5031
MLogP:  4.1
XLogP:  3.388
# Rotatable Bonds:  17
Polar Surface Area:  117.78
# H-Bond Aceptor:  7
# H-Bond Donor:  1
# Rings:  6
# Heavy Atoms:  46

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