Natural Product: NPC126458

Natural Product ID:  NPC126458
Common Name:   Hookerianamide I
IUPAC Name:   N-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(1S)-1-(methylamino)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-methylbenzamide
Synonyms:   Hookerianamide I
Molecular Formula:   C30H46N2O
Standard InCHIKey:  NISGMKNSSUMSSN-IBWRYCSWSA-N
Standard InCHI:  InChI=1S/C30H46N2O/c1-20(31-4)25-13-14-26-24-12-11-22-19-23(32(5)28(33)21-9-7-6-8-10-21)15-17-29(22,2)27(24)16-18-30(25,26)3/h6-10,20,22-27,31H,11-19H2,1-5H3/t20-,22-,23-,24-,25+,26-,27-,29-,30+/m0/s1
Canonical SMILES:  CN[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)N(C(=O)c1ccccc1)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
NPO13128 Crotalaria rosenii Species Fabaceae Eukaryota UNPD*
NPO12560 Cassia leptophylla Species Fabaceae Eukaryota UNPD*
NPO12450 Cneorum pulverulentum Species Rutaceae Eukaryota UNPD*
NPO2332 Plantago serraria Species Plantaginaceae Eukaryota UNPD*
NPO12900 Sarcococca hookeriana Species Buxaceae Eukaryota PMID[18681480]
NPO4160 Cephalosporium polyaleurum Species NA Eukaryota UNPD*
NPO6711 Streptomyces mirabilis Species Streptomycetaceae Bacteria UNPD*
NPO11838 Euphorbia regis-jubae Species Euphorbiaceae Eukaryota UNPD*
NPO12900 Sarcococca hookeriana Species Buxaceae Eukaryota Whole Plants PMID[17827771]
NPO18213 Strychnos variabilis Species Loganiaceae Eukaryota UNPD*
NPO12328 Ampelopsis japonica Species Vitaceae Eukaryota UNPD*
NPO9527 Dendrodoa grossularia Species Styelidae Eukaryota UNPD*
NPO7351 Uncaria pteropoda Species Rubiaceae Eukaryota UNPD*
NPO5033 Alpinia galanga Species Zingiberaceae Eukaryota UNPD*
NPO10911 Euphorbia peplis Species Euphorbiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT841 Organism Leishmania major Leishmania major IC50 = 8800 nM 18681480
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 17.5 mm 18681480
NPT2921 Organism Pseudomonas Pseudomonas IZ = 18.5 mm 18681480
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 69400 nM 18681480
NPT2921 Organism Pseudomonas Pseudomonas MIC = 69400 nM 18681480
NPT729 Organism Micrococcus luteus Micrococcus luteus IZ = 18 mm 18681480
NPT175 Organism Enterococcus faecalis Enterococcus faecalis IZ = 8 mm 18681480
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC = 34700 nM 18681480

  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 NPC126458 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
0.959 High Similarity NPC79698
0.9141 High Similarity NPC473962
0.8618 High Similarity NPC473573
0.8537 High Similarity NPC246904
0.7951 Intermediate Similarity NPC474695
0.7697 Intermediate Similarity NPC73644
0.748 Intermediate Similarity NPC474582
0.7222 Intermediate Similarity NPC475427
0.7143 Intermediate Similarity NPC119326
0.7132 Intermediate Similarity NPC55529
0.702 Intermediate Similarity NPC313850
0.6977 Remote Similarity NPC167336
0.6899 Remote Similarity NPC222029
0.6846 Remote Similarity NPC473418
0.681 Remote Similarity NPC475248
0.681 Remote Similarity NPC63047
0.6803 Remote Similarity NPC162417
0.6803 Remote Similarity NPC316104
0.6794 Remote Similarity NPC472699
0.6794 Remote Similarity NPC472700
0.6744 Remote Similarity NPC239854
0.6744 Remote Similarity NPC58200
0.6742 Remote Similarity NPC472695
0.6742 Remote Similarity NPC472696
0.6742 Remote Similarity NPC472701
0.6742 Remote Similarity NPC472683
0.6733 Remote Similarity NPC153007
0.672 Remote Similarity NPC246757
0.672 Remote Similarity NPC291070
0.6692 Remote Similarity NPC471829
0.6692 Remote Similarity NPC474866
0.6692 Remote Similarity NPC475939
0.6692 Remote Similarity NPC472691
0.6689 Remote Similarity NPC130251
0.6667 Remote Similarity NPC322433
0.6667 Remote Similarity NPC329430
0.6667 Remote Similarity NPC256452
0.6645 Remote Similarity NPC301760
0.6643 Remote Similarity NPC226143
0.662 Remote Similarity NPC109151
0.6614 Remote Similarity NPC185208
0.6614 Remote Similarity NPC219573
0.6587 Remote Similarity NPC476754
0.6582 Remote Similarity NPC66936
0.6564 Remote Similarity NPC469741
0.6549 Remote Similarity NPC71684
0.6541 Remote Similarity NPC473498
0.6538 Remote Similarity NPC476993
0.6531 Remote Similarity NPC179224
0.6522 Remote Similarity NPC113099
0.6491 Remote Similarity NPC286994
0.6481 Remote Similarity NPC104345
0.6479 Remote Similarity NPC27833
0.6475 Remote Similarity NPC147513
0.6463 Remote Similarity NPC282339
0.6463 Remote Similarity NPC99632
0.6463 Remote Similarity NPC40488
0.6463 Remote Similarity NPC476750
0.6456 Remote Similarity NPC109787
0.6434 Remote Similarity NPC103292
0.6434 Remote Similarity NPC239185
0.6429 Remote Similarity NPC471164
0.6429 Remote Similarity NPC470926
0.6423 Remote Similarity NPC157479
0.6414 Remote Similarity NPC192533
0.6392 Remote Similarity NPC212799
0.6385 Remote Similarity NPC134882
0.6382 Remote Similarity NPC478140
0.6378 Remote Similarity NPC323420
0.6378 Remote Similarity NPC476753
0.6378 Remote Similarity NPC59677
0.6378 Remote Similarity NPC476752
0.6371 Remote Similarity NPC43308
0.6371 Remote Similarity NPC17497
0.6371 Remote Similarity NPC305602
0.6369 Remote Similarity NPC476749
0.6364 Remote Similarity NPC179605
0.6364 Remote Similarity NPC112373
0.6364 Remote Similarity NPC161956
0.6364 Remote Similarity NPC279385
0.6364 Remote Similarity NPC258531
0.6347 Remote Similarity NPC279527
0.6347 Remote Similarity NPC214960
0.6346 Remote Similarity NPC469537
0.6341 Remote Similarity NPC276085
0.6335 Remote Similarity NPC117032
0.6319 Remote Similarity NPC257490
0.6312 Remote Similarity NPC473329
0.6309 Remote Similarity NPC472245
0.6308 Remote Similarity NPC265220
0.6306 Remote Similarity NPC311330
0.6303 Remote Similarity NPC225319
0.6299 Remote Similarity NPC469560
0.6296 Remote Similarity NPC45033
0.6294 Remote Similarity NPC177684
0.6294 Remote Similarity NPC291962
0.6294 Remote Similarity NPC242269
0.6289 Remote Similarity NPC2672
0.6288 Remote Similarity NPC109514
0.6288 Remote Similarity NPC472879
0.6286 Remote Similarity NPC33742
0.6276 Remote Similarity NPC268534
0.6275 Remote Similarity NPC471123
0.6269 Remote Similarity NPC275467
0.626 Remote Similarity NPC169016
0.626 Remote Similarity NPC75724
0.625 Remote Similarity NPC188844
0.625 Remote Similarity NPC1682
0.625 Remote Similarity NPC473661
0.625 Remote Similarity NPC266425
0.6242 Remote Similarity NPC111428
0.6242 Remote Similarity NPC473322
0.624 Remote Similarity NPC60408
0.6225 Remote Similarity NPC32858
0.6225 Remote Similarity NPC53044
0.6225 Remote Similarity NPC40364
0.6225 Remote Similarity NPC194857
0.6224 Remote Similarity NPC320656
0.6224 Remote Similarity NPC472698
0.6224 Remote Similarity NPC472697
0.6224 Remote Similarity NPC220698
0.6218 Remote Similarity NPC186284
0.6218 Remote Similarity NPC2823
0.6218 Remote Similarity NPC22082
0.6214 Remote Similarity NPC276949
0.6214 Remote Similarity NPC35850
0.621 Remote Similarity NPC311769
0.621 Remote Similarity NPC182106
0.6207 Remote Similarity NPC314192
0.6207 Remote Similarity NPC477042
0.6205 Remote Similarity NPC472102
0.6205 Remote Similarity NPC309531
0.6205 Remote Similarity NPC248117
0.6204 Remote Similarity NPC470252
0.6202 Remote Similarity NPC71140
0.6197 Remote Similarity NPC239357
0.6194 Remote Similarity NPC83214
0.619 Remote Similarity NPC267262
0.619 Remote Similarity NPC222466
0.619 Remote Similarity NPC22746
0.6187 Remote Similarity NPC181390
0.6178 Remote Similarity NPC471516
0.6174 Remote Similarity NPC71933
0.6174 Remote Similarity NPC239990
0.6174 Remote Similarity NPC105114
0.6174 Remote Similarity NPC89923
0.6174 Remote Similarity NPC152850
0.6172 Remote Similarity NPC284475
0.616 Remote Similarity NPC258046
0.6159 Remote Similarity NPC255447
0.6154 Remote Similarity NPC470545
0.6154 Remote Similarity NPC260233
0.6154 Remote Similarity NPC472880
0.6154 Remote Similarity NPC315051
0.6154 Remote Similarity NPC150712
0.6149 Remote Similarity NPC470343
0.6149 Remote Similarity NPC101719
0.6149 Remote Similarity NPC472244
0.6148 Remote Similarity NPC90150
0.6145 Remote Similarity NPC36495
0.6145 Remote Similarity NPC193410
0.6144 Remote Similarity NPC132847
0.6144 Remote Similarity NPC474473
0.6142 Remote Similarity NPC113307
0.6142 Remote Similarity NPC298115
0.6138 Remote Similarity NPC200964
0.6136 Remote Similarity NPC49994
0.6133 Remote Similarity NPC209389
0.6133 Remote Similarity NPC150863
0.6131 Remote Similarity NPC189116
0.6129 Remote Similarity NPC132636
0.6125 Remote Similarity NPC264589
0.6125 Remote Similarity NPC473541
0.6124 Remote Similarity NPC475057
0.6124 Remote Similarity NPC153885
0.6122 Remote Similarity NPC254698
0.6121 Remote Similarity NPC93343
0.6118 Remote Similarity NPC207428
0.6111 Remote Similarity NPC470546
0.6107 Remote Similarity NPC136453
0.6104 Remote Similarity NPC300299
0.6103 Remote Similarity NPC476198
0.6099 Remote Similarity NPC57051
0.6098 Remote Similarity NPC215474
0.6096 Remote Similarity NPC475915
0.6095 Remote Similarity NPC71132
0.6094 Remote Similarity NPC19256
0.6094 Remote Similarity NPC58872
0.6093 Remote Similarity NPC280807
0.6093 Remote Similarity NPC314431
0.6084 Remote Similarity NPC61013
0.6084 Remote Similarity NPC123241
0.6084 Remote Similarity NPC470544
0.6081 Remote Similarity NPC285394
0.6077 Remote Similarity NPC238219
0.6077 Remote Similarity NPC474974
0.6077 Remote Similarity NPC289883
0.6076 Remote Similarity NPC475128
0.6074 Remote Similarity NPC154602
0.6074 Remote Similarity NPC243756

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC126458 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
0.7778 Intermediate Similarity NPD5653 Discontinued
0.7761 Intermediate Similarity NPD3550 Clinical (unspecified phase)
0.7761 Intermediate Similarity NPD3547 Approved
0.7761 Intermediate Similarity NPD3549 Approved
0.7752 Intermediate Similarity NPD1323 Discontinued
0.7674 Intermediate Similarity NPD853 Approved
0.7674 Intermediate Similarity NPD851 Approved
0.7606 Intermediate Similarity NPD7541 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD813 Approved
0.7557 Intermediate Similarity NPD7679 Phase 2
0.7552 Intermediate Similarity NPD7254 Discontinued
0.7483 Intermediate Similarity NPD4705 Clinical (unspecified phase)
0.7413 Intermediate Similarity NPD8125 Discontinued
0.7381 Intermediate Similarity NPD1761 Approved
0.7381 Intermediate Similarity NPD1766 Approved
0.7381 Intermediate Similarity NPD1767 Approved
0.7381 Intermediate Similarity NPD1765 Approved
0.7381 Intermediate Similarity NPD1763 Approved
0.7329 Intermediate Similarity NPD2010 Phase 3
0.7319 Intermediate Similarity NPD6330 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD2754 Discontinued
0.7292 Intermediate Similarity NPD5227 Clinical (unspecified phase)
0.7286 Intermediate Similarity NPD4549 Discontinued
0.728 Intermediate Similarity NPD4803 Discontinued
0.7279 Intermediate Similarity NPD1123 Approved
0.7279 Intermediate Similarity NPD6768 Approved
0.7279 Intermediate Similarity NPD1124 Approved
0.7273 Intermediate Similarity NPD3551 Approved
0.7266 Intermediate Similarity NPD1321 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD8239 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD6740 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD6806 Phase 1
0.7071 Intermediate Similarity NPD6792 Phase 3
0.7059 Intermediate Similarity NPD6345 Approved
0.7059 Intermediate Similarity NPD6343 Approved
0.7055 Intermediate Similarity NPD7192 Discontinued
0.7039 Intermediate Similarity NPD8165 Discontinued
0.702 Intermediate Similarity NPD7602 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD6342 Discontinued
0.7007 Intermediate Similarity NPD6358 Phase 2
0.6993 Remote Similarity NPD2918 Clinical (unspecified phase)
0.6993 Remote Similarity NPD2919 Clinical (unspecified phase)
0.6985 Remote Similarity NPD3806 Clinical (unspecified phase)
0.6984 Remote Similarity NPD787 Suspended
0.6978 Remote Similarity NPD3624 Phase 2
0.6977 Remote Similarity NPD2192 Approved
0.6977 Remote Similarity NPD2197 Approved
0.6959 Remote Similarity NPD6655 Clinical (unspecified phase)
0.6954 Remote Similarity NPD7949 Clinical (unspecified phase)
0.6954 Remote Similarity NPD5918 Discontinued
0.695 Remote Similarity NPD2634 Clinical (unspecified phase)
0.6939 Remote Similarity NPD6817 Clinical (unspecified phase)
0.6935 Remote Similarity NPD5554 Approved
0.6933 Remote Similarity NPD7663 Clinical (unspecified phase)
0.6929 Remote Similarity NPD5630 Phase 1
0.6923 Remote Similarity NPD1781 Discontinued
0.6906 Remote Similarity NPD3836 Clinical (unspecified phase)
0.6897 Remote Similarity NPD5581 Approved
0.6897 Remote Similarity NPD2846 Clinical (unspecified phase)
0.6889 Remote Similarity NPD2508 Discontinued
0.6884 Remote Similarity NPD1217 Clinical (unspecified phase)
0.6879 Remote Similarity NPD1640 Clinical (unspecified phase)
0.6875 Remote Similarity NPD2196 Discontinued
0.6875 Remote Similarity NPD6027 Approved
0.6875 Remote Similarity NPD2193 Phase 2
0.6875 Remote Similarity NPD2648 Phase 3
0.6875 Remote Similarity NPD6024 Approved
0.6867 Remote Similarity NPD7720 Phase 2
0.6861 Remote Similarity NPD5991 Approved
0.6861 Remote Similarity NPD5990 Approved
0.6855 Remote Similarity NPD3982 Approved
0.6855 Remote Similarity NPD2878 Approved
0.6855 Remote Similarity NPD3980 Approved
0.6838 Remote Similarity NPD1025 Discontinued
0.6835 Remote Similarity NPD5836 Discontinued
0.6831 Remote Similarity NPD1482 Clinical (unspecified phase)
0.6825 Remote Similarity NPD4655 Approved
0.6825 Remote Similarity NPD4657 Approved
0.6825 Remote Similarity NPD1099 Approved
0.6825 Remote Similarity NPD1100 Approved
0.6821 Remote Similarity NPD6566 Discontinued
0.6818 Remote Similarity NPD8009 Approved
0.6818 Remote Similarity NPD8010 Approved
0.6818 Remote Similarity NPD7088 Discontinued
0.6815 Remote Similarity NPD2790 Discontinued
0.6797 Remote Similarity NPD7575 Phase 3
0.6788 Remote Similarity NPD5162 Approved
0.6783 Remote Similarity NPD3245 Phase 3
0.6783 Remote Similarity NPD3244 Pre-registration
0.6779 Remote Similarity NPD4077 Clinical (unspecified phase)
0.6779 Remote Similarity NPD4214 Discontinued
0.6772 Remote Similarity NPD7072 Phase 2
0.6768 Remote Similarity NPD7795 Phase 2
0.6767 Remote Similarity NPD3581 Discontinued
0.6763 Remote Similarity NPD5516 Phase 2
0.6763 Remote Similarity NPD5517 Phase 2
0.6761 Remote Similarity NPD9539 Approved
0.6761 Remote Similarity NPD9541 Approved
0.6759 Remote Similarity NPD3063 Discontinued
0.6755 Remote Similarity NPD3434 Clinical (unspecified phase)
0.6736 Remote Similarity NPD5339 Clinical (unspecified phase)
0.6733 Remote Similarity NPD4158 Clinical (unspecified phase)
0.6733 Remote Similarity NPD7142 Discontinued
0.6719 Remote Similarity NPD742 Approved
0.6714 Remote Similarity NPD4416 Clinical (unspecified phase)
0.671 Remote Similarity NPD6631 Clinical (unspecified phase)
0.671 Remote Similarity NPD7794 Clinical (unspecified phase)
0.6709 Remote Similarity NPD5086 Approved
0.6709 Remote Similarity NPD7612 Clinical (unspecified phase)
0.669 Remote Similarity NPD1050 Approved
0.6689 Remote Similarity NPD6623 Phase 3
0.6687 Remote Similarity NPD7854 Phase 2
0.6667 Remote Similarity NPD4464 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5009 Approved
0.6667 Remote Similarity NPD5010 Approved
0.6667 Remote Similarity NPD9540 Approved
0.6667 Remote Similarity NPD1302 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2820 Phase 3
0.6667 Remote Similarity NPD4094 Approved
0.6667 Remote Similarity NPD6294 Approved
0.6667 Remote Similarity NPD7082 Approved
0.6667 Remote Similarity NPD6295 Approved
0.6645 Remote Similarity NPD1956 Clinical (unspecified phase)
0.6643 Remote Similarity NPD4677 Discontinued
0.6641 Remote Similarity NPD4937 Approved
0.6641 Remote Similarity NPD4936 Approved
0.6641 Remote Similarity NPD466 Approved
0.6623 Remote Similarity NPD7487 Discontinued
0.6623 Remote Similarity NPD7259 Approved
0.6622 Remote Similarity NPD7578 Phase 2
0.6615 Remote Similarity NPD2171 Approved
0.6614 Remote Similarity NPD1738 Approved
0.6614 Remote Similarity NPD2005 Discontinued
0.6613 Remote Similarity NPD5915 Approved
0.6601 Remote Similarity NPD2365 Approved
0.6599 Remote Similarity NPD6919 Clinical (unspecified phase)
0.6597 Remote Similarity NPD5577 Clinical (unspecified phase)
0.6597 Remote Similarity NPD5578 Approved
0.6591 Remote Similarity NPD1677 Discontinued
0.6589 Remote Similarity NPD1946 Clinical (unspecified phase)
0.6584 Remote Similarity NPD3589 Clinical (unspecified phase)
0.6581 Remote Similarity NPD7295 Approved
0.6571 Remote Similarity NPD5511 Discontinued
0.6562 Remote Similarity NPD5597 Approved
0.6562 Remote Similarity NPD7954 Clinical (unspecified phase)
0.6562 Remote Similarity NPD5598 Approved
0.6562 Remote Similarity NPD7267 Clinical (unspecified phase)
0.656 Remote Similarity NPD4543 Discontinued
0.6549 Remote Similarity NPD1079 Discontinued
0.6538 Remote Similarity NPD6884 Clinical (unspecified phase)
0.6538 Remote Similarity NPD1524 Phase 1
0.6533 Remote Similarity NPD3908 Approved
0.6528 Remote Similarity NPD7464 Phase 3
0.6522 Remote Similarity NPD1075 Approved
0.6522 Remote Similarity NPD1073 Approved
0.6522 Remote Similarity NPD1074 Approved
0.6522 Remote Similarity NPD3867 Phase 2
0.6522 Remote Similarity NPD6855 Clinical (unspecified phase)
0.6522 Remote Similarity NPD1023 Approved
0.6522 Remote Similarity NPD1021 Approved
0.6522 Remote Similarity NPD1022 Approved
0.6522 Remote Similarity NPD1020 Approved
0.6519 Remote Similarity NPD6611 Clinical (unspecified phase)
0.6515 Remote Similarity NPD2577 Clinical (unspecified phase)
0.651 Remote Similarity NPD941 Approved
0.6503 Remote Similarity NPD4775 Clinical (unspecified phase)
0.65 Remote Similarity NPD7610 Discontinued
0.6497 Remote Similarity NPD7478 Approved
0.6496 Remote Similarity NPD480 Approved
0.6486 Remote Similarity NPD4497 Clinical (unspecified phase)
0.6483 Remote Similarity NPD2962 Approved
0.6483 Remote Similarity NPD2961 Approved
0.6481 Remote Similarity NPD7011 Discontinued
0.6474 Remote Similarity NPD5933 Phase 3
0.6474 Remote Similarity NPD8131 Suspended
0.6474 Remote Similarity NPD5932 Phase 3
0.6474 Remote Similarity NPD5931 Phase 3
0.6471 Remote Similarity NPD5068 Clinical (unspecified phase)
0.6457 Remote Similarity NPD7683 Discontinued
0.6456 Remote Similarity NPD4185 Clinical (unspecified phase)
0.645 Remote Similarity NPD7662 Clinical (unspecified phase)
0.6449 Remote Similarity NPD5181 Approved
0.6449 Remote Similarity NPD1374 Approved
0.6449 Remote Similarity NPD1370 Approved
0.6449 Remote Similarity NPD1373 Approved
0.6449 Remote Similarity NPD5179 Approved
0.6449 Remote Similarity NPD5180 Approved
0.6449 Remote Similarity NPD1371 Approved
0.6439 Remote Similarity NPD3357 Discontinued
0.6434 Remote Similarity NPD3495 Discontinued
0.6433 Remote Similarity NPD3519 Discontinued
0.6429 Remote Similarity NPD5727 Clinical (unspecified phase)
0.6429 Remote Similarity NPD4461 Discontinued
0.6423 Remote Similarity NPD2124 Approved
0.642 Remote Similarity NPD2000 Phase 3
0.642 Remote Similarity NPD1999 Phase 3
0.6419 Remote Similarity NPD7979 Clinical (unspecified phase)
0.6415 Remote Similarity NPD5748 Phase 2
0.6412 Remote Similarity NPD1916 Discontinued
0.6407 Remote Similarity NPD2413 Phase 2

Structure

External Identifiers

PubChem CID   44587245
ChEMBL   CHEMBL503323
ZINC  

Physicochemical Properties

Molecular Weight:  450.36
ALogP:  0.0278
MLogP:  4.43
XLogP:  9.826
# Rotatable Bonds:  10
Polar Surface Area:  32.34
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  33

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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