Natural Product: NPC96599

Natural Product ID:  NPC96599
Common Name:   Arbortristoside C
IUPAC Name:   methyl (1S,4aS,5S,6R,7R,7aR)-5-hydroxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Synonyms:   Arbortristoside C
Molecular Formula:   C26H32O13
Standard InCHIKey:  OJZQWQZTFYKVNT-KBLKYLEWSA-N
Standard InCHI:  InChI=1S/C26H32O13/c1-11-17-18(20(31)23(11)38-16(29)8-5-12-3-6-13(28)7-4-12)14(24(34)35-2)10-36-25(17)39-26-22(33)21(32)19(30)15(9-27)37-26/h3-8,10-11,15,17-23,25-28,30-33H,9H2,1-2H3/b8-5+/t11-,15-,17-,18-,19-,20+,21+,22-,23-,25+,26+/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@H](C)[C@H]([C@H]3O)OC(=O)/C=C/c2ccc(cc2)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
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
NPO33172 nyctanthes arbortristis Species Oleaceae Eukaryota PMID[1791475]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT633 Organism Leishmania donovani Leishmania donovani Inhibition = 67.43 % PubChem BioAssay data set
NPT6376 Individual Protein Trypanothione reductase Leishmania donovani Inhibition = 82.76 % PubChem BioAssay data set
NPT6376 Individual Protein Trypanothione reductase Leishmania donovani Inhibition = 51.66 % PubChem BioAssay data set
NPT6376 Individual Protein Trypanothione reductase Leishmania donovani Inhibition = 67.76 % PubChem BioAssay data set
NPT71 Cell Line HEK293 Homo sapiens Activity = 89.63 % 19689125
NPT633 Organism Leishmania donovani Leishmania donovani IC50 = 9000 nM 19689125
NPT633 Organism Leishmania donovani Leishmania donovani IC50 = 5016 nM 19689125
NPT633 Organism Leishmania donovani Leishmania donovani Inhibition = 39.91 % 17477572
NPT633 Organism Leishmania donovani Leishmania donovani Activity = 2.51 % 10.1039/C0MD00252F
NPT633 Organism Leishmania donovani Leishmania donovani Activity = 10 % 10.1039/C0MD00252F
NPT633 Organism Leishmania donovani Leishmania donovani Activity = 50.9 % 19835393
NPT633 Organism Leishmania donovani Leishmania donovani Activity = 36.59 % 12608850
NPT633 Organism Leishmania donovani Leishmania donovani Survival < 28 day 17500572
NPT6376 Individual Protein Trypanothione reductase Leishmania donovani Inhibition = 62.67 % 10.1039/C4MD00406J
NPT6376 Individual Protein Trypanothione reductase Leishmania donovani Inhibition = 46.87 % 19001116
NPT6376 Individual Protein Trypanothione reductase Leishmania donovani Inhibition = 97.66 % 19015330
NPT71 Cell Line HEK293 Homo sapiens Activity = 48.62 % 10.1021/np50086a008
NPT6376 Individual Protein Trypanothione reductase Leishmania donovani Inhibition = 78.87 % 17300184
NPT6376 Individual Protein Trypanothione reductase Leishmania donovani Inhibition = 95.3 % 17300184

  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 NPC96599 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
0.979 High Similarity NPC117346
0.979 High Similarity NPC240592
0.9645 High Similarity NPC296659
0.9645 High Similarity NPC202391
0.9592 High Similarity NPC475484
0.9586 High Similarity NPC475379
0.9507 High Similarity NPC251062
0.9507 High Similarity NPC184464
0.9452 High Similarity NPC158546
0.9452 High Similarity NPC289021
0.9437 High Similarity NPC186296
0.9396 High Similarity NPC475378
0.9296 High Similarity NPC7518
0.9296 High Similarity NPC159387
0.9296 High Similarity NPC154262
0.9296 High Similarity NPC137501
0.9184 High Similarity NPC478234
0.9184 High Similarity NPC478236
0.9155 High Similarity NPC31745
0.9155 High Similarity NPC220936
0.9145 High Similarity NPC179914
0.9128 High Similarity NPC194705
0.9067 High Similarity NPC229354
0.9021 High Similarity NPC49597
0.9 High Similarity NPC478235
0.898 High Similarity NPC143246
0.898 High Similarity NPC475539
0.898 High Similarity NPC474268
0.898 High Similarity NPC119773
0.898 High Similarity NPC473147
0.8973 High Similarity NPC77922
0.8973 High Similarity NPC194938
0.8973 High Similarity NPC473281
0.8968 High Similarity NPC145847
0.8912 High Similarity NPC475528
0.891 High Similarity NPC109990
0.8904 High Similarity NPC293154
0.8904 High Similarity NPC475213
0.8904 High Similarity NPC152796
0.8897 High Similarity NPC46644
0.8882 High Similarity NPC478232
0.8873 High Similarity NPC169398
0.8867 High Similarity NPC35097
0.8859 High Similarity NPC120728
0.8851 High Similarity NPC212808
0.8844 High Similarity NPC63304
0.8839 High Similarity NPC138993
0.8803 High Similarity NPC470143
0.8803 High Similarity NPC322503
0.8792 High Similarity NPC473149
0.8776 High Similarity NPC237872
0.8776 High Similarity NPC88754
0.8776 High Similarity NPC302286
0.8776 High Similarity NPC263397
0.8776 High Similarity NPC116104
0.8726 High Similarity NPC476011
0.8718 High Similarity NPC208676
0.8718 High Similarity NPC130489
0.8718 High Similarity NPC474936
0.871 High Similarity NPC187205
0.8693 High Similarity NPC257847
0.869 High Similarity NPC65262
0.869 High Similarity NPC101686
0.869 High Similarity NPC469364
0.8688 High Similarity NPC21956
0.8684 High Similarity NPC474620
0.8679 High Similarity NPC130730
0.8679 High Similarity NPC301910
0.8675 High Similarity NPC161955
0.8662 High Similarity NPC254819
0.8658 High Similarity NPC210330
0.8627 High Similarity NPC203664
0.8618 High Similarity NPC69367
0.8608 High Similarity NPC206815
0.86 High Similarity NPC37838
0.8591 High Similarity NPC478240
0.8581 High Similarity NPC296643
0.8543 High Similarity NPC18789
0.8523 High Similarity NPC478250
0.8497 Intermediate Similarity NPC147224
0.8493 Intermediate Similarity NPC472132
0.8471 Intermediate Similarity NPC329997
0.8456 Intermediate Similarity NPC284957
0.8447 Intermediate Similarity NPC282551
0.8442 Intermediate Similarity NPC269914
0.8442 Intermediate Similarity NPC478249
0.8418 Intermediate Similarity NPC469384
0.8415 Intermediate Similarity NPC195972
0.8414 Intermediate Similarity NPC114116
0.8408 Intermediate Similarity NPC478248
0.8408 Intermediate Similarity NPC10945
0.8403 Intermediate Similarity NPC281798
0.8367 Intermediate Similarity NPC471345
0.8366 Intermediate Similarity NPC308178
0.8366 Intermediate Similarity NPC189631
0.8354 Intermediate Similarity NPC49173
0.8354 Intermediate Similarity NPC475663
0.8354 Intermediate Similarity NPC286919
0.8333 Intermediate Similarity NPC478241
0.8333 Intermediate Similarity NPC89693
0.8333 Intermediate Similarity NPC17567
0.8333 Intermediate Similarity NPC229548
0.8313 Intermediate Similarity NPC475613
0.8301 Intermediate Similarity NPC470330
0.8276 Intermediate Similarity NPC46137
0.8276 Intermediate Similarity NPC235294
0.8276 Intermediate Similarity NPC475824
0.8276 Intermediate Similarity NPC478255
0.8258 Intermediate Similarity NPC267469
0.8258 Intermediate Similarity NPC87630
0.8258 Intermediate Similarity NPC116292
0.8258 Intermediate Similarity NPC179128
0.8252 Intermediate Similarity NPC173150
0.8252 Intermediate Similarity NPC156692
0.8252 Intermediate Similarity NPC106677
0.8252 Intermediate Similarity NPC471882
0.8252 Intermediate Similarity NPC471881
0.8252 Intermediate Similarity NPC288416
0.8252 Intermediate Similarity NPC35288
0.8252 Intermediate Similarity NPC45224
0.8247 Intermediate Similarity NPC23677
0.8242 Intermediate Similarity NPC271755
0.8242 Intermediate Similarity NPC149502
0.8242 Intermediate Similarity NPC470685
0.8242 Intermediate Similarity NPC254071
0.8242 Intermediate Similarity NPC222665
0.8239 Intermediate Similarity NPC226759
0.8239 Intermediate Similarity NPC4747
0.8239 Intermediate Similarity NPC104275
0.8235 Intermediate Similarity NPC291153
0.8235 Intermediate Similarity NPC208293
0.8235 Intermediate Similarity NPC473867
0.8235 Intermediate Similarity NPC320734
0.8228 Intermediate Similarity NPC172920
0.8228 Intermediate Similarity NPC156624
0.8217 Intermediate Similarity NPC299706
0.8217 Intermediate Similarity NPC115466
0.8217 Intermediate Similarity NPC245615
0.8217 Intermediate Similarity NPC61604
0.8207 Intermediate Similarity NPC319995
0.8207 Intermediate Similarity NPC289415
0.8205 Intermediate Similarity NPC77310
0.8199 Intermediate Similarity NPC477627
0.8194 Intermediate Similarity NPC225307
0.8194 Intermediate Similarity NPC478242
0.8187 Intermediate Similarity NPC76211
0.8182 Intermediate Similarity NPC61181
0.8182 Intermediate Similarity NPC276047
0.8182 Intermediate Similarity NPC471157
0.8182 Intermediate Similarity NPC267733
0.8163 Intermediate Similarity NPC19719
0.8163 Intermediate Similarity NPC477281
0.8163 Intermediate Similarity NPC477280
0.816 Intermediate Similarity NPC318472
0.816 Intermediate Similarity NPC180586
0.8158 Intermediate Similarity NPC469367
0.8158 Intermediate Similarity NPC204644
0.8156 Intermediate Similarity NPC52097
0.8151 Intermediate Similarity NPC225384
0.8151 Intermediate Similarity NPC246869
0.8151 Intermediate Similarity NPC138777
0.8146 Intermediate Similarity NPC80098
0.8141 Intermediate Similarity NPC12006
0.8141 Intermediate Similarity NPC158635
0.8141 Intermediate Similarity NPC182350
0.8141 Intermediate Similarity NPC229882
0.8141 Intermediate Similarity NPC35160
0.8141 Intermediate Similarity NPC162569
0.8138 Intermediate Similarity NPC469549
0.8138 Intermediate Similarity NPC253595
0.8137 Intermediate Similarity NPC478265
0.8133 Intermediate Similarity NPC324262
0.8133 Intermediate Similarity NPC62800
0.8133 Intermediate Similarity NPC220942
0.8125 Intermediate Similarity NPC103533
0.8113 Intermediate Similarity NPC10205
0.8113 Intermediate Similarity NPC38699
0.8112 Intermediate Similarity NPC126991
0.8112 Intermediate Similarity NPC123704
0.8112 Intermediate Similarity NPC83218
0.811 Intermediate Similarity NPC469419
0.8101 Intermediate Similarity NPC44730
0.8098 Intermediate Similarity NPC327694
0.8095 Intermediate Similarity NPC327204
0.8095 Intermediate Similarity NPC471066
0.8095 Intermediate Similarity NPC471095
0.8095 Intermediate Similarity NPC323379
0.8089 Intermediate Similarity NPC140151
0.8086 Intermediate Similarity NPC293568
0.8086 Intermediate Similarity NPC117943
0.8085 Intermediate Similarity NPC11724
0.8082 Intermediate Similarity NPC469705
0.8082 Intermediate Similarity NPC470122
0.8082 Intermediate Similarity NPC17968
0.8067 Intermediate Similarity NPC310252
0.8067 Intermediate Similarity NPC84789
0.8067 Intermediate Similarity NPC100558
0.8067 Intermediate Similarity NPC170718
0.8067 Intermediate Similarity NPC302583
0.8065 Intermediate Similarity NPC97240

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC96599 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
0.8528 High Similarity NPD7685 Pre-registration
0.8013 Intermediate Similarity NPD7266 Discontinued
0.7791 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD6190 Approved
0.7688 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7628 Intermediate Similarity NPD4628 Phase 3
0.7616 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7545 Intermediate Similarity NPD7199 Phase 2
0.7529 Intermediate Similarity NPD7228 Approved
0.7529 Intermediate Similarity NPD3818 Discontinued
0.75 Intermediate Similarity NPD8455 Phase 2
0.7485 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD37 Approved
0.7425 Intermediate Similarity NPD6234 Discontinued
0.7423 Intermediate Similarity NPD4380 Phase 2
0.741 Intermediate Similarity NPD4967 Phase 2
0.741 Intermediate Similarity NPD4965 Approved
0.741 Intermediate Similarity NPD4966 Approved
0.7403 Intermediate Similarity NPD6653 Approved
0.7384 Intermediate Similarity NPD7054 Approved
0.7365 Intermediate Similarity NPD7075 Discontinued
0.7353 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7341 Intermediate Similarity NPD7472 Approved
0.7341 Intermediate Similarity NPD7074 Phase 3
0.7338 Intermediate Similarity NPD6355 Discontinued
0.7333 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD5647 Approved
0.7326 Intermediate Similarity NPD7799 Discontinued
0.7325 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7325 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7325 Intermediate Similarity NPD6004 Phase 3
0.7325 Intermediate Similarity NPD6002 Phase 3
0.7325 Intermediate Similarity NPD6005 Phase 3
0.732 Intermediate Similarity NPD6663 Approved
0.7314 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD9545 Approved
0.7305 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD1653 Approved
0.7285 Intermediate Similarity NPD5736 Approved
0.7278 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD8313 Approved
0.7273 Intermediate Similarity NPD8312 Approved
0.7257 Intermediate Similarity NPD7251 Discontinued
0.7257 Intermediate Similarity NPD6559 Discontinued
0.7256 Intermediate Similarity NPD7458 Discontinued
0.7255 Intermediate Similarity NPD3764 Approved
0.7235 Intermediate Similarity NPD8127 Discontinued
0.7226 Intermediate Similarity NPD230 Phase 1
0.7216 Intermediate Similarity NPD7808 Phase 3
0.72 Intermediate Similarity NPD6797 Phase 2
0.7197 Intermediate Similarity NPD7033 Discontinued
0.7186 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD7240 Approved
0.7134 Intermediate Similarity NPD7097 Phase 1
0.7134 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD6801 Discontinued
0.7117 Intermediate Similarity NPD8389 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD5762 Approved
0.7107 Intermediate Similarity NPD5763 Approved
0.7081 Intermediate Similarity NPD8166 Discontinued
0.7081 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD6273 Approved
0.7039 Intermediate Similarity NPD3094 Phase 2
0.7039 Intermediate Similarity NPD6362 Approved
0.7032 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD4978 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD7028 Phase 2
0.7 Intermediate Similarity NPD1091 Approved
0.6994 Remote Similarity NPD7236 Approved
0.6987 Remote Similarity NPD6233 Phase 2
0.6982 Remote Similarity NPD7819 Suspended
0.6975 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6957 Remote Similarity NPD970 Clinical (unspecified phase)
0.6941 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6928 Remote Similarity NPD2797 Approved
0.6923 Remote Similarity NPD1934 Approved
0.6923 Remote Similarity NPD6798 Discontinued
0.6923 Remote Similarity NPD3268 Approved
0.691 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6895 Remote Similarity NPD7435 Discontinued
0.6893 Remote Similarity NPD5844 Phase 1
0.6887 Remote Similarity NPD3092 Approved
0.6886 Remote Similarity NPD7239 Suspended
0.6885 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6882 Remote Similarity NPD5761 Phase 2
0.6882 Remote Similarity NPD5760 Phase 2
0.6882 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6875 Remote Similarity NPD7473 Discontinued
0.6875 Remote Similarity NPD1510 Phase 2
0.6871 Remote Similarity NPD3750 Approved
0.6868 Remote Similarity NPD8150 Discontinued
0.6868 Remote Similarity NPD8434 Phase 2
0.6864 Remote Similarity NPD7411 Suspended
0.6859 Remote Similarity NPD8319 Approved
0.6859 Remote Similarity NPD8320 Phase 1
0.6852 Remote Similarity NPD1549 Phase 2
0.6848 Remote Similarity NPD6799 Approved
0.6842 Remote Similarity NPD1608 Approved
0.6842 Remote Similarity NPD3817 Phase 2
0.6842 Remote Similarity NPD5402 Approved
0.6839 Remote Similarity NPD2861 Phase 2
0.6836 Remote Similarity NPD3751 Discontinued
0.6835 Remote Similarity NPD4140 Approved
0.6831 Remote Similarity NPD6685 Approved
0.6826 Remote Similarity NPD5403 Approved
0.6818 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6818 Remote Similarity NPD6166 Phase 2
0.6818 Remote Similarity NPD6168 Clinical (unspecified phase)
0.681 Remote Similarity NPD1652 Phase 2
0.6807 Remote Similarity NPD2532 Approved
0.6807 Remote Similarity NPD2534 Approved
0.6807 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6807 Remote Similarity NPD2533 Approved
0.6806 Remote Similarity NPD7497 Discontinued
0.6805 Remote Similarity NPD6599 Discontinued
0.6802 Remote Similarity NPD7930 Approved
0.68 Remote Similarity NPD6232 Discontinued
0.6792 Remote Similarity NPD5735 Approved
0.6792 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6792 Remote Similarity NPD5124 Phase 1
0.679 Remote Similarity NPD1550 Clinical (unspecified phase)
0.679 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6784 Remote Similarity NPD1465 Phase 2
0.6784 Remote Similarity NPD2801 Approved
0.6772 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6768 Remote Similarity NPD4110 Phase 3
0.6768 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6765 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6755 Remote Similarity NPD5126 Approved
0.6755 Remote Similarity NPD5125 Phase 3
0.6753 Remote Similarity NPD7585 Approved
0.6752 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6748 Remote Similarity NPD2424 Discontinued
0.6748 Remote Similarity NPD5958 Discontinued
0.6738 Remote Similarity NPD6534 Approved
0.6738 Remote Similarity NPD6535 Approved
0.6737 Remote Similarity NPD6777 Approved
0.6737 Remote Similarity NPD6780 Approved
0.6737 Remote Similarity NPD6776 Approved
0.6737 Remote Similarity NPD6778 Approved
0.6737 Remote Similarity NPD6779 Approved
0.6737 Remote Similarity NPD6782 Approved
0.6737 Remote Similarity NPD6781 Approved
0.6736 Remote Similarity NPD7999 Approved
0.6728 Remote Similarity NPD2796 Approved
0.6728 Remote Similarity NPD2935 Discontinued
0.6723 Remote Similarity NPD7852 Clinical (unspecified phase)
0.672 Remote Similarity NPD7700 Phase 2
0.672 Remote Similarity NPD7699 Phase 2
0.6719 Remote Similarity NPD7680 Approved
0.6718 Remote Similarity NPD8151 Discontinued
0.6707 Remote Similarity NPD6674 Discontinued
0.6707 Remote Similarity NPD5401 Approved
0.6705 Remote Similarity NPD3787 Discontinued
0.6705 Remote Similarity NPD3882 Suspended
0.6705 Remote Similarity NPD7768 Phase 2
0.6701 Remote Similarity NPD7583 Approved
0.669 Remote Similarity NPD2067 Discontinued
0.6687 Remote Similarity NPD5058 Phase 3
0.6687 Remote Similarity NPD6652 Clinical (unspecified phase)
0.6686 Remote Similarity NPD5494 Approved
0.6685 Remote Similarity NPD6765 Approved
0.6685 Remote Similarity NPD6764 Approved
0.6684 Remote Similarity NPD7874 Approved
0.6684 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2798 Approved
0.6667 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4062 Phase 3
0.6667 Remote Similarity NPD3749 Approved
0.6667 Remote Similarity NPD6085 Phase 2
0.6667 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2799 Discontinued
0.665 Remote Similarity NPD7783 Phase 2
0.665 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6647 Remote Similarity NPD5353 Approved
0.6646 Remote Similarity NPD3027 Phase 3
0.6646 Remote Similarity NPD7095 Approved
0.6645 Remote Similarity NPD3019 Approved
0.6645 Remote Similarity NPD2932 Approved
0.6645 Remote Similarity NPD1876 Approved
0.6645 Remote Similarity NPD17 Approved
0.6644 Remote Similarity NPD7157 Approved
0.6632 Remote Similarity NPD7697 Approved
0.6632 Remote Similarity NPD7698 Approved
0.6632 Remote Similarity NPD7696 Phase 3
0.6626 Remote Similarity NPD6100 Approved
0.6626 Remote Similarity NPD6099 Approved
0.6626 Remote Similarity NPD2438 Suspended
0.6625 Remote Similarity NPD4060 Phase 1
0.6625 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6625 Remote Similarity NPD1240 Approved
0.6625 Remote Similarity NPD3620 Phase 2
0.6624 Remote Similarity NPD9494 Approved
0.6623 Remote Similarity NPD9269 Phase 2
0.6623 Remote Similarity NPD3091 Approved
0.662 Remote Similarity NPD5765 Approved

Structure

External Identifiers

PubChem CID   23955893
ChEMBL   CHEMBL505478
ZINC  

Physicochemical Properties

Molecular Weight:  552.18
ALogP:  -3.4251
MLogP:  2.89
XLogP:  0.584
# Rotatable Bonds:  17
Polar Surface Area:  201.67
# H-Bond Aceptor:  12
# H-Bond Donor:  6
# Rings:  4
# Heavy Atoms:  39

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
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