Natural Product: NPC271572

Natural Product ID:  NPC271572
Common Name:   Salaspermic Acid
IUPAC Name:  
Synonyms:   Salaspermic Acid
Molecular Formula:   C30H48O4
Standard InCHIKey:  ZXENWDWQTWYUGY-RFBMWCEQSA-N
Standard InCHI:  InChI=1S/C30H48O4/c1-19-29-9-7-20-26(4,21(29)8-10-30(19,33)34-18-29)14-16-28(6)22-17-25(3,23(31)32)12-11-24(22,2)13-15-27(20,28)5/h19-22,33H,7-18H2,1-6H3,(H,31,32)/t19-,20+,21+,22-,24-,25-,26-,27-,28+,29+,30-/m1/s1
Canonical SMILES:  C[C@H]1[C@@]2(O)CC[C@@H]3[C@@]1(CC[C@H]1[C@@]3(C)CC[C@@]3([C@]1(C)CC[C@@]1([C@H]3C[C@](CC1)(C)C(=O)O)C)C)CO2
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
NPO7484 Salacia chinensis Species Celastraceae Eukaryota Stems Thailand PMID[14510595]
NPO14242 Maytenus laevis Species Celastraceae Eukaryota bark Leticia, Colombia PMID[15568791]
NPO28378 Kokoona ochracea Species Celastraceae Eukaryota PMID[8158155]
NPO13661 Tripterygium wilfordii Species Celastraceae Eukaryota PMID[1375626]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT762 Cell Line A-431 Homo sapiens ED50 > 20 ug/ml 21855181
NPT2 Others Unspecified ED50 > 20 ug/ml 21855181
NPT2 Others Unspecified ED50 > 20 ug/ml 21783364
NPT91 Cell Line KB Homo sapiens ED50 > 20 ug/ml 21855181
NPT1851 Cell Line Col2 Homo sapiens ED50 > 20 ug/ml 21855181
NPT133 Cell Line ZR-75-1 Homo sapiens ED50 > 20 ug/ml 21855181
NPT858 Cell Line LNCaP Homo sapiens ED50 > 20 ug/ml 21855181
NPT147 Cell Line SK-MEL-2 Homo sapiens ED50 > 20 ug/ml 10.6019/CHEMBL1201861
NPT168 Cell Line P388 Mus musculus ED50 > 5 ug/ml 10.6019/CHEMBL1201861
NPT927 Cell Line PBMC Homo sapiens Activity = 109.6 ug/ml 10.1039/C4MD00203B
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 ED50 = 10 nM 7964790
NPT1034 Cell Line Lu1 Homo sapiens ED50 > 20 ug/ml 24224794
NPT2 Others Unspecified ED50 > 20 ug/ml 15646539
NPT453 Cell Line HT-1080 Homo sapiens ED50 > 20 ug/ml 15646539
NPT927 Cell Line PBMC Homo sapiens Activity < 7.8 ug/ml 10.1007/s00044-011-9767-1
NPT927 Cell Line PBMC Homo sapiens Activity < 7.8 ug/ml 17315926
NPT2 Others Unspecified EC50 = 100 ug/ml 19604701
NPT927 Cell Line PBMC Homo sapiens Activity = 54.5 ug/ml 23543830
NPT927 Cell Line PBMC Homo sapiens Activity = 857.3 ug/ml 19805556
NPT68 Individual Protein Aldose reductase Rattus norvegicus IC50 > 100000 nM 22444681
NPT759 Cell Line H9 Homo sapiens IC50 = 53000 nM 25554367
NPT927 Cell Line PBMC Homo sapiens Activity = 21.6 ug/ml 19818612
NPT68 Individual Protein Aldose reductase Rattus norvegicus Inhibition = 2 % 19651906
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 Inhibition = 96 % 20481500
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 EC50 = 16 ug/ml 25338180
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 EC50 = 75 ug/ml 7996553
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 EC50 > 100 ug/ml 19807106
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 EC50 = 15 ug/ml 19818612
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 Inhibition = 63 % 20189404

  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 NPC271572 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
1.0 High Similarity NPC474870
0.9091 High Similarity NPC31031
0.9091 High Similarity NPC243594
0.8987 High Similarity NPC48756
0.8987 High Similarity NPC280781
0.8929 High Similarity NPC50443
0.8929 High Similarity NPC18536
0.8846 High Similarity NPC472608
0.878 High Similarity NPC62572
0.8734 High Similarity NPC73013
0.8659 High Similarity NPC473299
0.8625 High Similarity NPC261616
0.8434 Intermediate Similarity NPC34984
0.8434 Intermediate Similarity NPC25037
0.8415 Intermediate Similarity NPC61107
0.8415 Intermediate Similarity NPC289486
0.8375 Intermediate Similarity NPC26029
0.8333 Intermediate Similarity NPC472145
0.8293 Intermediate Similarity NPC476071
0.8293 Intermediate Similarity NPC50658
0.8276 Intermediate Similarity NPC185529
0.8276 Intermediate Similarity NPC472146
0.825 Intermediate Similarity NPC298168
0.825 Intermediate Similarity NPC317913
0.825 Intermediate Similarity NPC207010
0.825 Intermediate Similarity NPC143133
0.8242 Intermediate Similarity NPC472144
0.8214 Intermediate Similarity NPC105895
0.8205 Intermediate Similarity NPC68426
0.8205 Intermediate Similarity NPC477229
0.8205 Intermediate Similarity NPC475230
0.8205 Intermediate Similarity NPC282905
0.8193 Intermediate Similarity NPC208912
0.8193 Intermediate Similarity NPC2096
0.8161 Intermediate Similarity NPC67653
0.8161 Intermediate Similarity NPC471459
0.8158 Intermediate Similarity NPC469724
0.8158 Intermediate Similarity NPC100917
0.8158 Intermediate Similarity NPC281203
0.8158 Intermediate Similarity NPC31187
0.8125 Intermediate Similarity NPC4209
0.8125 Intermediate Similarity NPC108840
0.8101 Intermediate Similarity NPC168511
0.8101 Intermediate Similarity NPC159325
0.8095 Intermediate Similarity NPC474253
0.8095 Intermediate Similarity NPC474284
0.8095 Intermediate Similarity NPC474346
0.8095 Intermediate Similarity NPC213737
0.8095 Intermediate Similarity NPC475820
0.809 Intermediate Similarity NPC472148
0.809 Intermediate Similarity NPC475061
0.809 Intermediate Similarity NPC472147
0.8077 Intermediate Similarity NPC247195
0.8077 Intermediate Similarity NPC469940
0.8072 Intermediate Similarity NPC58631
0.8049 Intermediate Similarity NPC201276
0.8049 Intermediate Similarity NPC80891
0.8026 Intermediate Similarity NPC41542
0.8025 Intermediate Similarity NPC112463
0.8025 Intermediate Similarity NPC307865
0.8022 Intermediate Similarity NPC235109
0.8 Intermediate Similarity NPC267753
0.8 Intermediate Similarity NPC237938
0.8 Intermediate Similarity NPC212733
0.8 Intermediate Similarity NPC219535
0.7978 Intermediate Similarity NPC475878
0.7976 Intermediate Similarity NPC30583
0.7975 Intermediate Similarity NPC109510
0.7931 Intermediate Similarity NPC252714
0.7927 Intermediate Similarity NPC224802
0.7927 Intermediate Similarity NPC171426
0.7927 Intermediate Similarity NPC80089
0.7927 Intermediate Similarity NPC324700
0.7927 Intermediate Similarity NPC34046
0.7922 Intermediate Similarity NPC180777
0.7922 Intermediate Similarity NPC103647
0.7922 Intermediate Similarity NPC260319
0.7922 Intermediate Similarity NPC2568
0.7912 Intermediate Similarity NPC82633
0.7889 Intermediate Similarity NPC472231
0.7889 Intermediate Similarity NPC472232
0.7882 Intermediate Similarity NPC269684
0.7875 Intermediate Similarity NPC167702
0.7875 Intermediate Similarity NPC74639
0.7875 Intermediate Similarity NPC130011
0.7875 Intermediate Similarity NPC280026
0.7841 Intermediate Similarity NPC4309
0.7831 Intermediate Similarity NPC320144
0.7826 Intermediate Similarity NPC163685
0.7821 Intermediate Similarity NPC178541
0.7816 Intermediate Similarity NPC187545
0.7816 Intermediate Similarity NPC83242
0.7805 Intermediate Similarity NPC477918
0.7792 Intermediate Similarity NPC476928
0.7791 Intermediate Similarity NPC319909
0.7791 Intermediate Similarity NPC471044
0.7791 Intermediate Similarity NPC473336
0.7791 Intermediate Similarity NPC79308
0.7778 Intermediate Similarity NPC160506
0.7778 Intermediate Similarity NPC174964
0.7778 Intermediate Similarity NPC477934
0.7778 Intermediate Similarity NPC97534
0.7778 Intermediate Similarity NPC179858
0.7778 Intermediate Similarity NPC195155
0.7766 Intermediate Similarity NPC80417
0.7765 Intermediate Similarity NPC121121
0.7763 Intermediate Similarity NPC230047
0.7763 Intermediate Similarity NPC19311
0.7753 Intermediate Similarity NPC30522
0.775 Intermediate Similarity NPC253805
0.775 Intermediate Similarity NPC81759
0.7738 Intermediate Similarity NPC475456
0.7727 Intermediate Similarity NPC33768
0.7722 Intermediate Similarity NPC108131
0.7722 Intermediate Similarity NPC477929
0.7711 Intermediate Similarity NPC185465
0.7711 Intermediate Similarity NPC329117
0.7692 Intermediate Similarity NPC475977
0.7692 Intermediate Similarity NPC63118
0.7692 Intermediate Similarity NPC49776
0.7692 Intermediate Similarity NPC474436
0.7683 Intermediate Similarity NPC477933
0.7683 Intermediate Similarity NPC477932
0.7683 Intermediate Similarity NPC475742
0.7683 Intermediate Similarity NPC5767
0.7683 Intermediate Similarity NPC471046
0.7674 Intermediate Similarity NPC471037
0.7667 Intermediate Similarity NPC120840
0.7667 Intermediate Similarity NPC470114
0.7667 Intermediate Similarity NPC113989
0.7667 Intermediate Similarity NPC474728
0.7667 Intermediate Similarity NPC77756
0.7662 Intermediate Similarity NPC84562
0.766 Intermediate Similarity NPC164349
0.7654 Intermediate Similarity NPC55508
0.7653 Intermediate Similarity NPC126753
0.7647 Intermediate Similarity NPC12933
0.7647 Intermediate Similarity NPC73515
0.7647 Intermediate Similarity NPC475743
0.764 Intermediate Similarity NPC3032
0.764 Intermediate Similarity NPC131104
0.764 Intermediate Similarity NPC473319
0.7634 Intermediate Similarity NPC475765
0.7634 Intermediate Similarity NPC317573
0.7634 Intermediate Similarity NPC475785
0.7625 Intermediate Similarity NPC290058
0.7625 Intermediate Similarity NPC478227
0.7619 Intermediate Similarity NPC220379
0.7619 Intermediate Similarity NPC474754
0.7614 Intermediate Similarity NPC120395
0.7614 Intermediate Similarity NPC2783
0.7614 Intermediate Similarity NPC248216
0.7614 Intermediate Similarity NPC12774
0.7609 Intermediate Similarity NPC474963
0.7609 Intermediate Similarity NPC303863
0.7604 Intermediate Similarity NPC80640
0.7595 Intermediate Similarity NPC252032
0.7595 Intermediate Similarity NPC196197
0.7595 Intermediate Similarity NPC476734
0.7595 Intermediate Similarity NPC319671
0.7595 Intermediate Similarity NPC469941
0.759 Intermediate Similarity NPC23884
0.759 Intermediate Similarity NPC221420
0.7586 Intermediate Similarity NPC477434
0.7586 Intermediate Similarity NPC474996
0.7582 Intermediate Similarity NPC471901
0.7582 Intermediate Similarity NPC470590
0.7582 Intermediate Similarity NPC60755
0.7582 Intermediate Similarity NPC285184
0.7582 Intermediate Similarity NPC77099
0.7576 Intermediate Similarity NPC207693
0.7558 Intermediate Similarity NPC13494
0.7556 Intermediate Similarity NPC472233
0.7556 Intermediate Similarity NPC472234
0.7556 Intermediate Similarity NPC290972
0.7556 Intermediate Similarity NPC64872
0.7556 Intermediate Similarity NPC25906
0.7553 Intermediate Similarity NPC158347
0.7553 Intermediate Similarity NPC472273
0.7531 Intermediate Similarity NPC474755
0.7531 Intermediate Similarity NPC232112
0.7529 Intermediate Similarity NPC472853
0.7529 Intermediate Similarity NPC125366
0.7528 Intermediate Similarity NPC269360
0.7528 Intermediate Similarity NPC264005
0.7527 Intermediate Similarity NPC305808
0.75 Intermediate Similarity NPC161035
0.75 Intermediate Similarity NPC264317
0.75 Intermediate Similarity NPC131350
0.75 Intermediate Similarity NPC477445
0.75 Intermediate Similarity NPC98270
0.75 Intermediate Similarity NPC287118
0.75 Intermediate Similarity NPC471902
0.75 Intermediate Similarity NPC294438
0.75 Intermediate Similarity NPC473690
0.75 Intermediate Similarity NPC199965
0.75 Intermediate Similarity NPC476732
0.75 Intermediate Similarity NPC86368
0.75 Intermediate Similarity NPC22709
0.7473 Intermediate Similarity NPC475211

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC271572 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
0.825 Intermediate Similarity NPD6116 Phase 1
0.8125 Intermediate Similarity NPD6117 Approved
0.7927 Intermediate Similarity NPD6115 Approved
0.7927 Intermediate Similarity NPD6118 Approved
0.7927 Intermediate Similarity NPD6114 Approved
0.7927 Intermediate Similarity NPD6697 Approved
0.7875 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD8035 Phase 2
0.7778 Intermediate Similarity NPD8034 Phase 2
0.75 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD4224 Phase 2
0.7419 Intermediate Similarity NPD7748 Approved
0.7407 Intermediate Similarity NPD5777 Approved
0.7407 Intermediate Similarity NPD6081 Approved
0.7407 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7375 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7375 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD7902 Approved
0.7349 Intermediate Similarity NPD3702 Approved
0.725 Intermediate Similarity NPD5360 Phase 3
0.725 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD7515 Phase 2
0.7143 Intermediate Similarity NPD3703 Phase 2
0.7073 Intermediate Similarity NPD4789 Approved
0.7073 Intermediate Similarity NPD4245 Approved
0.7073 Intermediate Similarity NPD4244 Approved
0.7053 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD7900 Approved
0.6951 Remote Similarity NPD3698 Phase 2
0.6932 Remote Similarity NPD6928 Phase 2
0.6931 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6875 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6786 Remote Similarity NPD4758 Discontinued
0.6771 Remote Similarity NPD6399 Phase 3
0.6705 Remote Similarity NPD3671 Phase 1
0.6705 Remote Similarity NPD5364 Discontinued
0.6667 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6574 Remote Similarity NPD8133 Approved
0.6548 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6545 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6522 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6522 Remote Similarity NPD3669 Approved
0.6484 Remote Similarity NPD1780 Approved
0.6484 Remote Similarity NPD1779 Approved
0.6436 Remote Similarity NPD7638 Approved
0.6429 Remote Similarity NPD8171 Discontinued
0.6381 Remote Similarity NPD6402 Approved
0.6381 Remote Similarity NPD5739 Approved
0.6381 Remote Similarity NPD6675 Approved
0.6381 Remote Similarity NPD7128 Approved
0.6373 Remote Similarity NPD7639 Approved
0.6373 Remote Similarity NPD8418 Phase 2
0.6373 Remote Similarity NPD7640 Approved
0.6354 Remote Similarity NPD7513 Clinical (unspecified phase)
0.633 Remote Similarity NPD6882 Approved
0.6306 Remote Similarity NPD6940 Discontinued
0.6289 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6264 Remote Similarity NPD7645 Phase 2
0.6262 Remote Similarity NPD7320 Approved
0.6262 Remote Similarity NPD6899 Approved
0.6262 Remote Similarity NPD6881 Approved
0.625 Remote Similarity NPD7632 Discontinued
0.6235 Remote Similarity NPD229 Approved
0.6234 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6207 Remote Similarity NPD8328 Phase 3
0.6204 Remote Similarity NPD6373 Approved
0.6204 Remote Similarity NPD6372 Approved
0.6186 Remote Similarity NPD5737 Approved
0.6186 Remote Similarity NPD6672 Approved
0.6176 Remote Similarity NPD6083 Phase 2
0.6176 Remote Similarity NPD6084 Phase 2
0.617 Remote Similarity NPD4788 Approved
0.6168 Remote Similarity NPD5697 Approved
0.6168 Remote Similarity NPD5701 Approved
0.6154 Remote Similarity NPD4238 Approved
0.6154 Remote Similarity NPD4802 Phase 2
0.6147 Remote Similarity NPD6883 Approved
0.6147 Remote Similarity NPD7102 Approved
0.6147 Remote Similarity NPD7290 Approved
0.6146 Remote Similarity NPD5330 Approved
0.6146 Remote Similarity NPD3618 Phase 1
0.6146 Remote Similarity NPD7146 Approved
0.6146 Remote Similarity NPD7521 Approved
0.6146 Remote Similarity NPD7334 Approved
0.6146 Remote Similarity NPD6409 Approved
0.6146 Remote Similarity NPD6684 Approved
0.6139 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6122 Remote Similarity NPD5328 Approved
0.6111 Remote Similarity NPD6011 Approved
0.6111 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6105 Remote Similarity NPD4786 Approved
0.6092 Remote Similarity NPD4787 Phase 1
0.6091 Remote Similarity NPD6650 Approved
0.6091 Remote Similarity NPD6617 Approved
0.6091 Remote Similarity NPD8130 Phase 1
0.6091 Remote Similarity NPD6649 Approved
0.6091 Remote Similarity NPD6847 Approved
0.6091 Remote Similarity NPD6869 Approved
0.6091 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6082 Remote Similarity NPD3573 Approved
0.6064 Remote Similarity NPD3667 Approved
0.6055 Remote Similarity NPD6013 Approved
0.6055 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6055 Remote Similarity NPD6014 Approved
0.6055 Remote Similarity NPD6012 Approved
0.6049 Remote Similarity NPD3198 Approved
0.6036 Remote Similarity NPD8297 Approved
0.6026 Remote Similarity NPD615 Clinical (unspecified phase)
0.6022 Remote Similarity NPD7525 Registered
0.602 Remote Similarity NPD6903 Approved
0.6019 Remote Similarity NPD6412 Phase 2
0.6 Remote Similarity NPD6079 Approved
0.6 Remote Similarity NPD7736 Approved
0.6 Remote Similarity NPD1700 Approved
0.6 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6 Remote Similarity NPD2257 Approved
0.598 Remote Similarity NPD7991 Discontinued
0.598 Remote Similarity NPD5695 Phase 3
0.5977 Remote Similarity NPD3725 Approved
0.5977 Remote Similarity NPD3726 Approved
0.5966 Remote Similarity NPD7507 Approved
0.5963 Remote Similarity NPD6686 Approved
0.5962 Remote Similarity NPD5696 Approved
0.5941 Remote Similarity NPD4202 Approved
0.5926 Remote Similarity NPD6920 Discontinued
0.5926 Remote Similarity NPD6008 Approved
0.5922 Remote Similarity NPD7614 Phase 1
0.5895 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5889 Remote Similarity NPD1810 Approved
0.5889 Remote Similarity NPD1811 Approved
0.5882 Remote Similarity NPD9496 Clinical (unspecified phase)
0.5882 Remote Similarity NPD7492 Approved
0.5867 Remote Similarity NPD2266 Phase 2
0.5865 Remote Similarity NPD4755 Approved
0.5842 Remote Similarity NPD6411 Approved
0.5833 Remote Similarity NPD6616 Approved
0.5826 Remote Similarity NPD7115 Discovery
0.5826 Remote Similarity NPD6009 Approved
0.582 Remote Similarity NPD7319 Approved
0.5816 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5816 Remote Similarity NPD6098 Approved
0.5812 Remote Similarity NPD6054 Approved
0.5812 Remote Similarity NPD6059 Approved
0.581 Remote Similarity NPD4225 Approved
0.5806 Remote Similarity NPD3617 Approved
0.58 Remote Similarity NPD6080 Approved
0.58 Remote Similarity NPD6673 Approved
0.58 Remote Similarity NPD6904 Approved
0.5785 Remote Similarity NPD7078 Approved
0.5785 Remote Similarity NPD8293 Discontinued
0.5776 Remote Similarity NPD6335 Approved
0.5773 Remote Similarity NPD3133 Approved
0.5773 Remote Similarity NPD3666 Approved
0.5773 Remote Similarity NPD3668 Phase 3
0.5773 Remote Similarity NPD3665 Phase 1
0.5769 Remote Similarity NPD4697 Phase 3
0.5769 Remote Similarity NPD7732 Phase 3
0.5769 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5769 Remote Similarity NPD5222 Approved
0.5769 Remote Similarity NPD5221 Approved
0.5765 Remote Similarity NPD7909 Approved
0.5755 Remote Similarity NPD4700 Approved
0.5755 Remote Similarity NPD5286 Approved
0.5755 Remote Similarity NPD4696 Approved
0.5755 Remote Similarity NPD5285 Approved
0.5745 Remote Similarity NPD5354 Approved
0.5739 Remote Similarity NPD6274 Approved
0.5739 Remote Similarity NPD6868 Approved
0.573 Remote Similarity NPD7532 Clinical (unspecified phase)
0.573 Remote Similarity NPD2687 Approved
0.573 Remote Similarity NPD2686 Approved
0.573 Remote Similarity NPD2254 Approved
0.5728 Remote Similarity NPD6001 Approved
0.5727 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5727 Remote Similarity NPD7646 Clinical (unspecified phase)
0.5726 Remote Similarity NPD7101 Approved
0.5726 Remote Similarity NPD7100 Approved
0.5714 Remote Similarity NPD1694 Approved
0.5714 Remote Similarity NPD6370 Approved
0.5714 Remote Similarity NPD5173 Approved
0.5702 Remote Similarity NPD4632 Approved
0.5702 Remote Similarity NPD8298 Phase 2
0.5701 Remote Similarity NPD5223 Approved
0.569 Remote Similarity NPD6317 Approved
0.5686 Remote Similarity NPD5284 Approved
0.5686 Remote Similarity NPD5281 Approved
0.5678 Remote Similarity NPD8377 Approved
0.5678 Remote Similarity NPD8294 Approved
0.5676 Remote Similarity NPD6415 Discontinued
0.5667 Remote Similarity NPD6067 Discontinued
0.5648 Remote Similarity NPD5225 Approved
0.5648 Remote Similarity NPD5211 Phase 2
0.5648 Remote Similarity NPD5226 Approved
0.5648 Remote Similarity NPD5224 Approved
0.5648 Remote Similarity NPD4633 Approved
0.5644 Remote Similarity NPD6101 Approved
0.5644 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5644 Remote Similarity NPD4753 Phase 2
0.5641 Remote Similarity NPD6314 Approved

Structure

External Identifiers

PubChem CID   44576111
ChEMBL   CHEMBL483649
ZINC  

Physicochemical Properties

Molecular Weight:  472.36
ALogP:  0.8905
MLogP:  4.32
XLogP:  9.207
# Rotatable Bonds:  9
Polar Surface Area:  66.76
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  6
# Heavy Atoms:  34

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Biological Activities  
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