Natural Product: NPC186975

Natural Product ID:  NPC186975
Common Name:   Nigranoic Acid
IUPAC Name:  
Synonyms:   Nigranoic Acid
Molecular Formula:   C30H46O4
Standard InCHIKey:  NJFOSFIPGRXARF-BRTULJEKSA-N
Standard InCHI:  InChI=1S/C30H46O4/c1-19(2)22-10-11-24-28(6)14-12-23(20(3)8-7-9-21(4)26(33)34)27(28,5)16-17-30(24)18-29(22,30)15-13-25(31)32/h9,20,22-24H,1,7-8,10-18H2,2-6H3,(H,31,32)(H,33,34)/b21-9-/t20-,22+,23-,24+,27-,28+,29-,30+/m1/s1
Canonical SMILES:  OC(=O)CC[C@@]12C[C@@]32CC[C@]2([C@@]([C@@H]3CC[C@H]1C(=C)C)(C)CC[C@@H]2[C@@H](CC/C=C(C(=O)O)/C)C)C
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
NPO628 Schisandra nigra Species Schisandraceae Eukaryota TCMID*
NPO23441 Schisandra sphaerandra Species Schisandraceae Eukaryota TCMID*
NPO7385 Schisandra sphenanthera Species Schisandraceae Eukaryota TCMID*
NPO8367 Fructus schiandrae NA NA NA TCMID*
NPO14250 Schisandra henryi Species Schisandraceae Eukaryota Stems PMID[14661856]
NPO23441 Schisandra sphaerandra Species Schisandraceae Eukaryota Stems PMID[8778243]
NPO7850 Schisandra propinqua Species Schisandraceae Eukaryota Stems PMID[11395273]
NPO8106 Kadsura heteroclita Species Schisandraceae Eukaryota Stems PMID[16557460]
NPO9834 Veronica austriaca Species Plantaginaceae Eukaryota UNPD*
NPO19507 Schisandra lancifolia Species Schisandraceae Eukaryota PMID[16499331]
NPO18146 Kadsura angustifolia Species Schisandraceae Eukaryota PMID[21232955]
NPO20158 Microcoleus lyngbyaceus Species Microcoleaceae Bacteria UNPD*
NPO22975 Argostemma yappii Species Rubiaceae Eukaryota UNPD*
NPO21858 Scopulariopsis brevicaulis Species Microascaceae Eukaryota UNPD*
NPO6903 Lecanora straminea Species Lecanoraceae Eukaryota UNPD*
NPO21911 Tephrosia purpurea Species Fabaceae Eukaryota UNPD*
NPO7850 Schisandra propinqua Species Schisandraceae Eukaryota UNPD*
NPO1730 Dragmacidon lunaecharta Species Axinellidae Eukaryota UNPD*
NPO7128 Cynthia savignyi NA NA NA UNPD*
NPO11167 Prunus ssiori Species Rosaceae Eukaryota UNPD*
NPO23115 Haloarcula japonica Species NA Archaea UNPD*
NPO7374 Seseli montanum Species Apiaceae Eukaryota UNPD*
NPO16869 Diospyros natalensis Species Ebenaceae Eukaryota UNPD*
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota TM-MC*

  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 Inhibition = 99.4 % 8778243
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 IC50 = 159400 nM 8778243
NPT2 Others Unspecified Inhibition = 76.7 % 8778243
NPT2 Others Unspecified IC50 = 356500 nM 8778243
NPT2 Others Unspecified Inhibition = 71 % 8778243
NPT2 Others Unspecified IC50 = 388100 nM 8778243
NPT2 Others Unspecified Inhibition = 99.2 % 8778243
NPT2 Others Unspecified IC50 = 241600 nM 8778243
NPT2 Others Unspecified Inhibition = 46.2 % 8778243
NPT2 Others Unspecified IC50 = 424900 nM 8778243
NPT2 Others Unspecified Inhibition = 99.1 % 8778243
NPT2 Others Unspecified IC50 = 16600 nM 8778243
NPT2 Others Unspecified Inhibition = 75.4 % 8778243
NPT2 Others Unspecified IC50 = 187600 nM 8778243
NPT2 Others Unspecified Inhibition = 96.7 % 8778243
NPT2 Others Unspecified IC50 = 40600 nM 8778243
NPT2 Others Unspecified Inhibition = 6.8 % 8778243
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 = 10.3 ug/ml 16499331
NPT1452 Cell Line C8166 Homo sapiens CC50 = 88 ug/ml 16499331
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 = 10.5 ug/ml 21232955
NPT2 Others Unspecified Ratio CC50/EC50 = 8.48 21232955

  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 NPC186975 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
0.9877 High Similarity NPC236618
0.9756 High Similarity NPC117122
0.9639 High Similarity NPC66344
0.9506 High Similarity NPC164577
0.9506 High Similarity NPC472864
0.9506 High Similarity NPC19849
0.9412 High Similarity NPC470113
0.9383 High Similarity NPC97913
0.9277 High Similarity NPC472869
0.9268 High Similarity NPC472865
0.9186 High Similarity NPC476187
0.9125 High Similarity NPC158846
0.9091 High Similarity NPC293052
0.9091 High Similarity NPC476174
0.9059 High Similarity NPC472870
0.9036 High Similarity NPC476038
0.9036 High Similarity NPC194937
0.9036 High Similarity NPC248758
0.9 High Similarity NPC198240
0.8989 High Similarity NPC29152
0.8953 High Similarity NPC262043
0.8941 High Similarity NPC136948
0.8929 High Similarity NPC283733
0.8929 High Similarity NPC60350
0.8929 High Similarity NPC269638
0.8889 High Similarity NPC156546
0.8875 High Similarity NPC61952
0.8851 High Similarity NPC472866
0.881 High Similarity NPC181743
0.881 High Similarity NPC16287
0.881 High Similarity NPC178025
0.875 High Similarity NPC474018
0.875 High Similarity NPC473986
0.8721 High Similarity NPC128644
0.8706 High Similarity NPC29447
0.8675 High Similarity NPC477372
0.8652 High Similarity NPC472871
0.8587 High Similarity NPC98868
0.8571 High Similarity NPC320514
0.8571 High Similarity NPC472239
0.8539 High Similarity NPC204341
0.8506 High Similarity NPC476293
0.8495 Intermediate Similarity NPC470074
0.8471 Intermediate Similarity NPC279639
0.8471 Intermediate Similarity NPC167103
0.8471 Intermediate Similarity NPC3856
0.8452 Intermediate Similarity NPC147066
0.8452 Intermediate Similarity NPC40228
0.8452 Intermediate Similarity NPC278459
0.8444 Intermediate Similarity NPC476304
0.8434 Intermediate Similarity NPC477371
0.8404 Intermediate Similarity NPC118174
0.8395 Intermediate Similarity NPC472327
0.8395 Intermediate Similarity NPC476795
0.8372 Intermediate Similarity NPC165064
0.837 Intermediate Similarity NPC456
0.837 Intermediate Similarity NPC301534
0.837 Intermediate Similarity NPC472941
0.837 Intermediate Similarity NPC250757
0.8353 Intermediate Similarity NPC3511
0.8353 Intermediate Similarity NPC133391
0.8353 Intermediate Similarity NPC469804
0.8353 Intermediate Similarity NPC469806
0.8353 Intermediate Similarity NPC469799
0.8353 Intermediate Similarity NPC142253
0.8353 Intermediate Similarity NPC472867
0.8353 Intermediate Similarity NPC469805
0.8352 Intermediate Similarity NPC124207
0.8352 Intermediate Similarity NPC476186
0.8333 Intermediate Similarity NPC23217
0.8333 Intermediate Similarity NPC74296
0.8333 Intermediate Similarity NPC110923
0.8315 Intermediate Similarity NPC174342
0.8315 Intermediate Similarity NPC214387
0.8313 Intermediate Similarity NPC321690
0.8313 Intermediate Similarity NPC239098
0.8295 Intermediate Similarity NPC476409
0.8293 Intermediate Similarity NPC20466
0.8293 Intermediate Similarity NPC246445
0.8276 Intermediate Similarity NPC65661
0.8276 Intermediate Similarity NPC142649
0.8276 Intermediate Similarity NPC8571
0.8261 Intermediate Similarity NPC33473
0.8256 Intermediate Similarity NPC477373
0.8256 Intermediate Similarity NPC168188
0.8256 Intermediate Similarity NPC470015
0.8256 Intermediate Similarity NPC472740
0.8256 Intermediate Similarity NPC310470
0.8256 Intermediate Similarity NPC49019
0.8256 Intermediate Similarity NPC215893
0.8235 Intermediate Similarity NPC201912
0.8235 Intermediate Similarity NPC38350
0.8229 Intermediate Similarity NPC476237
0.8222 Intermediate Similarity NPC477147
0.8222 Intermediate Similarity NPC477149
0.8214 Intermediate Similarity NPC274996
0.8214 Intermediate Similarity NPC196827
0.8202 Intermediate Similarity NPC48107
0.8202 Intermediate Similarity NPC104560
0.8193 Intermediate Similarity NPC97377
0.8191 Intermediate Similarity NPC197386
0.8191 Intermediate Similarity NPC235464
0.8191 Intermediate Similarity NPC166745
0.8182 Intermediate Similarity NPC70661
0.8182 Intermediate Similarity NPC475007
0.8172 Intermediate Similarity NPC114743
0.8172 Intermediate Similarity NPC195366
0.8171 Intermediate Similarity NPC469803
0.8161 Intermediate Similarity NPC87552
0.8148 Intermediate Similarity NPC35656
0.814 Intermediate Similarity NPC260956
0.8132 Intermediate Similarity NPC473998
0.8125 Intermediate Similarity NPC235586
0.8118 Intermediate Similarity NPC469797
0.8118 Intermediate Similarity NPC469798
0.8111 Intermediate Similarity NPC262858
0.8111 Intermediate Similarity NPC128496
0.8111 Intermediate Similarity NPC146554
0.8111 Intermediate Similarity NPC309603
0.8111 Intermediate Similarity NPC310236
0.8111 Intermediate Similarity NPC472240
0.8111 Intermediate Similarity NPC473999
0.8105 Intermediate Similarity NPC476274
0.8105 Intermediate Similarity NPC287833
0.8105 Intermediate Similarity NPC476303
0.8095 Intermediate Similarity NPC179028
0.8095 Intermediate Similarity NPC280654
0.8095 Intermediate Similarity NPC260385
0.8095 Intermediate Similarity NPC74410
0.8095 Intermediate Similarity NPC59436
0.8095 Intermediate Similarity NPC110094
0.809 Intermediate Similarity NPC96496
0.8085 Intermediate Similarity NPC253826
0.8085 Intermediate Similarity NPC476253
0.8072 Intermediate Similarity NPC180886
0.8068 Intermediate Similarity NPC86316
0.8068 Intermediate Similarity NPC106416
0.8068 Intermediate Similarity NPC123319
0.8068 Intermediate Similarity NPC94531
0.8068 Intermediate Similarity NPC471224
0.8068 Intermediate Similarity NPC311702
0.8065 Intermediate Similarity NPC173875
0.8065 Intermediate Similarity NPC171395
0.8065 Intermediate Similarity NPC318282
0.8065 Intermediate Similarity NPC174948
0.8065 Intermediate Similarity NPC469995
0.8046 Intermediate Similarity NPC69279
0.8046 Intermediate Similarity NPC83569
0.8043 Intermediate Similarity NPC474736
0.8043 Intermediate Similarity NPC38232
0.8043 Intermediate Similarity NPC151722
0.8041 Intermediate Similarity NPC176883
0.8025 Intermediate Similarity NPC160817
0.8023 Intermediate Similarity NPC90055
0.8023 Intermediate Similarity NPC471898
0.8023 Intermediate Similarity NPC14203
0.8023 Intermediate Similarity NPC229584
0.8022 Intermediate Similarity NPC48010
0.8021 Intermediate Similarity NPC472924
0.8021 Intermediate Similarity NPC224720
0.8021 Intermediate Similarity NPC476240
0.8021 Intermediate Similarity NPC476223
0.8021 Intermediate Similarity NPC99411
0.8021 Intermediate Similarity NPC282524
0.8 Intermediate Similarity NPC199595
0.8 Intermediate Similarity NPC215843
0.8 Intermediate Similarity NPC57079
0.8 Intermediate Similarity NPC193843
0.8 Intermediate Similarity NPC72397
0.8 Intermediate Similarity NPC108368
0.8 Intermediate Similarity NPC249889
0.7979 Intermediate Similarity NPC328371
0.7978 Intermediate Similarity NPC155011
0.7976 Intermediate Similarity NPC212661
0.7976 Intermediate Similarity NPC471897
0.7976 Intermediate Similarity NPC471899
0.7976 Intermediate Similarity NPC132542
0.7976 Intermediate Similarity NPC165711
0.7976 Intermediate Similarity NPC66105
0.7976 Intermediate Similarity NPC107039
0.7976 Intermediate Similarity NPC471035
0.7976 Intermediate Similarity NPC68828
0.7957 Intermediate Similarity NPC8993
0.7957 Intermediate Similarity NPC469406
0.7957 Intermediate Similarity NPC299100
0.7955 Intermediate Similarity NPC85774
0.7955 Intermediate Similarity NPC214043
0.7955 Intermediate Similarity NPC96095
0.7952 Intermediate Similarity NPC476844
0.7952 Intermediate Similarity NPC192540
0.7952 Intermediate Similarity NPC279666
0.7938 Intermediate Similarity NPC293753
0.7935 Intermediate Similarity NPC477783
0.7935 Intermediate Similarity NPC475806
0.7935 Intermediate Similarity NPC165904
0.7935 Intermediate Similarity NPC179517
0.7935 Intermediate Similarity NPC289479
0.7931 Intermediate Similarity NPC100297
0.7931 Intermediate Similarity NPC193347
0.7931 Intermediate Similarity NPC200513

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC186975 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
0.7931 Intermediate Similarity NPD4221 Approved
0.7931 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7931 Intermediate Similarity NPD4223 Phase 3
0.7917 Intermediate Similarity NPD6404 Discontinued
0.7865 Intermediate Similarity NPD5329 Approved
0.7802 Intermediate Similarity NPD5737 Approved
0.7802 Intermediate Similarity NPD6672 Approved
0.7753 Intermediate Similarity NPD4197 Approved
0.7742 Intermediate Similarity NPD5281 Approved
0.7742 Intermediate Similarity NPD5284 Approved
0.7717 Intermediate Similarity NPD6904 Approved
0.7717 Intermediate Similarity NPD6673 Approved
0.7717 Intermediate Similarity NPD6080 Approved
0.7708 Intermediate Similarity NPD6084 Phase 2
0.7708 Intermediate Similarity NPD6083 Phase 2
0.7684 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.766 Intermediate Similarity NPD6399 Phase 3
0.7582 Intermediate Similarity NPD5330 Approved
0.7582 Intermediate Similarity NPD6409 Approved
0.7582 Intermediate Similarity NPD4689 Approved
0.7582 Intermediate Similarity NPD4623 Approved
0.7582 Intermediate Similarity NPD6684 Approved
0.7582 Intermediate Similarity NPD5205 Approved
0.7582 Intermediate Similarity NPD4519 Discontinued
0.7582 Intermediate Similarity NPD7521 Approved
0.7582 Intermediate Similarity NPD7334 Approved
0.7582 Intermediate Similarity NPD4693 Phase 3
0.7582 Intermediate Similarity NPD4690 Approved
0.7582 Intermediate Similarity NPD4138 Approved
0.7582 Intermediate Similarity NPD5690 Phase 2
0.7582 Intermediate Similarity NPD7146 Approved
0.7582 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD4688 Approved
0.7556 Intermediate Similarity NPD4786 Approved
0.7556 Intermediate Similarity NPD3133 Approved
0.7556 Intermediate Similarity NPD3665 Phase 1
0.7556 Intermediate Similarity NPD3666 Approved
0.7553 Intermediate Similarity NPD5693 Phase 1
0.7553 Intermediate Similarity NPD6079 Approved
0.7551 Intermediate Similarity NPD7639 Approved
0.7551 Intermediate Similarity NPD7640 Approved
0.7527 Intermediate Similarity NPD5328 Approved
0.7527 Intermediate Similarity NPD4753 Phase 2
0.75 Intermediate Similarity NPD5695 Phase 3
0.75 Intermediate Similarity NPD4695 Discontinued
0.7471 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD3617 Approved
0.7449 Intermediate Similarity NPD5696 Approved
0.7449 Intermediate Similarity NPD7638 Approved
0.7419 Intermediate Similarity NPD5208 Approved
0.7419 Intermediate Similarity NPD6903 Approved
0.7419 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD6001 Approved
0.7391 Intermediate Similarity NPD4694 Approved
0.7391 Intermediate Similarity NPD5280 Approved
0.7391 Intermediate Similarity NPD6098 Approved
0.7391 Intermediate Similarity NPD3618 Phase 1
0.7386 Intermediate Similarity NPD4195 Approved
0.7368 Intermediate Similarity NPD6050 Approved
0.7368 Intermediate Similarity NPD7515 Phase 2
0.734 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD3667 Approved
0.732 Intermediate Similarity NPD5210 Approved
0.732 Intermediate Similarity NPD4629 Approved
0.7315 Intermediate Similarity NPD7115 Discovery
0.7283 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD5692 Phase 3
0.7262 Intermediate Similarity NPD4691 Approved
0.7262 Intermediate Similarity NPD4747 Approved
0.7253 Intermediate Similarity NPD4788 Approved
0.7245 Intermediate Similarity NPD5222 Approved
0.7245 Intermediate Similarity NPD5221 Approved
0.7245 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD5211 Phase 2
0.7216 Intermediate Similarity NPD7748 Approved
0.7212 Intermediate Similarity NPD6899 Approved
0.7212 Intermediate Similarity NPD6881 Approved
0.7204 Intermediate Similarity NPD5279 Phase 3
0.7188 Intermediate Similarity NPD5694 Approved
0.7184 Intermediate Similarity NPD7128 Approved
0.7184 Intermediate Similarity NPD6675 Approved
0.7184 Intermediate Similarity NPD6402 Approved
0.7184 Intermediate Similarity NPD5739 Approved
0.7172 Intermediate Similarity NPD5173 Approved
0.7143 Intermediate Similarity NPD4137 Phase 3
0.7115 Intermediate Similarity NPD5697 Approved
0.7113 Intermediate Similarity NPD4202 Approved
0.7113 Intermediate Similarity NPD5133 Approved
0.7097 Intermediate Similarity NPD5363 Approved
0.7087 Intermediate Similarity NPD5141 Approved
0.7083 Intermediate Similarity NPD5207 Approved
0.7083 Intermediate Similarity NPD5785 Approved
0.7075 Intermediate Similarity NPD7102 Approved
0.7075 Intermediate Similarity NPD6883 Approved
0.7075 Intermediate Similarity NPD7290 Approved
0.7071 Intermediate Similarity NPD7614 Phase 1
0.7071 Intermediate Similarity NPD4697 Phase 3
0.7065 Intermediate Similarity NPD5362 Discontinued
0.7048 Intermediate Similarity NPD7320 Approved
0.7048 Intermediate Similarity NPD6011 Approved
0.703 Intermediate Similarity NPD5286 Approved
0.703 Intermediate Similarity NPD4696 Approved
0.703 Intermediate Similarity NPD5285 Approved
0.7011 Intermediate Similarity NPD5733 Approved
0.7011 Intermediate Similarity NPD4058 Approved
0.701 Intermediate Similarity NPD7637 Suspended
0.701 Intermediate Similarity NPD8035 Phase 2
0.701 Intermediate Similarity NPD8034 Phase 2
0.7009 Intermediate Similarity NPD6847 Approved
0.7009 Intermediate Similarity NPD6869 Approved
0.7009 Intermediate Similarity NPD6649 Approved
0.7009 Intermediate Similarity NPD6650 Approved
0.7009 Intermediate Similarity NPD8130 Phase 1
0.7009 Intermediate Similarity NPD6617 Approved
0.7 Intermediate Similarity NPD7902 Approved
0.7 Intermediate Similarity NPD5959 Approved
0.7 Intermediate Similarity NPD4755 Approved
0.6989 Remote Similarity NPD3668 Phase 3
0.6981 Remote Similarity NPD6012 Approved
0.6981 Remote Similarity NPD6013 Approved
0.6981 Remote Similarity NPD6372 Approved
0.6981 Remote Similarity NPD6014 Approved
0.6981 Remote Similarity NPD6373 Approved
0.6977 Remote Similarity NPD4243 Approved
0.6977 Remote Similarity NPD6081 Approved
0.6961 Remote Similarity NPD5223 Approved
0.6952 Remote Similarity NPD5701 Approved
0.6947 Remote Similarity NPD3573 Approved
0.6944 Remote Similarity NPD8297 Approved
0.6944 Remote Similarity NPD6882 Approved
0.6931 Remote Similarity NPD4225 Approved
0.6907 Remote Similarity NPD4096 Approved
0.6893 Remote Similarity NPD5091 Approved
0.6893 Remote Similarity NPD7632 Discontinued
0.6893 Remote Similarity NPD4633 Approved
0.6893 Remote Similarity NPD5226 Approved
0.6893 Remote Similarity NPD5225 Approved
0.6893 Remote Similarity NPD5224 Approved
0.6887 Remote Similarity NPD6686 Approved
0.6863 Remote Similarity NPD4700 Approved
0.6852 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6848 Remote Similarity NPD4692 Approved
0.6848 Remote Similarity NPD4139 Approved
0.6827 Remote Similarity NPD6052 Approved
0.6827 Remote Similarity NPD5174 Approved
0.6827 Remote Similarity NPD5175 Approved
0.6818 Remote Similarity NPD4687 Approved
0.6818 Remote Similarity NPD4784 Approved
0.6818 Remote Similarity NPD4785 Approved
0.6804 Remote Similarity NPD6051 Approved
0.68 Remote Similarity NPD5654 Approved
0.6792 Remote Similarity NPD6614 Approved
0.6786 Remote Similarity NPD4224 Phase 2
0.6782 Remote Similarity NPD5276 Approved
0.6774 Remote Similarity NPD4270 Approved
0.6774 Remote Similarity NPD4269 Approved
0.6757 Remote Similarity NPD6868 Approved
0.6742 Remote Similarity NPD7339 Approved
0.6742 Remote Similarity NPD6942 Approved
0.6739 Remote Similarity NPD7525 Registered
0.6737 Remote Similarity NPD1694 Approved
0.6727 Remote Similarity NPD4632 Approved
0.6702 Remote Similarity NPD5331 Approved
0.6702 Remote Similarity NPD5332 Approved
0.6701 Remote Similarity NPD4518 Approved
0.67 Remote Similarity NPD7901 Clinical (unspecified phase)
0.67 Remote Similarity NPD7900 Approved
0.6698 Remote Similarity NPD6008 Approved
0.6667 Remote Similarity NPD4754 Approved
0.6667 Remote Similarity NPD6117 Approved
0.6667 Remote Similarity NPD6902 Approved
0.6667 Remote Similarity NPD4790 Discontinued
0.6638 Remote Similarity NPD7604 Phase 2
0.6637 Remote Similarity NPD6335 Approved
0.6636 Remote Similarity NPD6412 Phase 2
0.663 Remote Similarity NPD6929 Approved
0.6629 Remote Similarity NPD6924 Approved
0.6629 Remote Similarity NPD6926 Approved
0.6629 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6628 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6607 Remote Similarity NPD6274 Approved
0.6593 Remote Similarity NPD6116 Phase 1
0.6579 Remote Similarity NPD7100 Approved
0.6579 Remote Similarity NPD7101 Approved
0.6574 Remote Similarity NPD5168 Approved
0.6574 Remote Similarity NPD5128 Approved
0.6574 Remote Similarity NPD4730 Approved
0.6574 Remote Similarity NPD4729 Approved
0.6569 Remote Similarity NPD7732 Phase 3
0.6562 Remote Similarity NPD1696 Phase 3
0.6559 Remote Similarity NPD6931 Approved
0.6559 Remote Similarity NPD4821 Approved
0.6559 Remote Similarity NPD4820 Approved
0.6559 Remote Similarity NPD4252 Approved
0.6559 Remote Similarity NPD4822 Approved
0.6559 Remote Similarity NPD4819 Approved
0.6559 Remote Similarity NPD6930 Phase 2
0.6556 Remote Similarity NPD4190 Phase 3
0.6556 Remote Similarity NPD5275 Approved
0.6549 Remote Similarity NPD6317 Approved

Structure

External Identifiers

PubChem CID   10814237
ChEMBL   CHEMBL480082
ZINC  

Physicochemical Properties

Molecular Weight:  470.34
ALogP:  3.2492
MLogP:  4.32
XLogP:  10.586
# Rotatable Bonds:  16
Polar Surface Area:  74.6
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  34

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Biological Activities  
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