Natural Product: NPC469808

Natural Product ID:  NPC469808
Common Name:   Sid17403365
IUPAC Name:   (E)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one
Synonyms:  
Molecular Formula:   C14H15NO4
Standard InCHIKey:  YGGASQPEKIGCKJ-DUXPYHPUSA-N
Standard InCHI:  InChI=1S/C14H15NO4/c16-14(15-5-7-17-8-6-15)4-2-11-1-3-12-13(9-11)19-10-18-12/h1-4,9H,5-8,10H2/b4-2+
Canonical SMILES:  O=C(N1CCOCC1)/C=C/c1ccc2c(c1)OCO2
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
NPO28928 Piper nigrum Species Piperaceae Eukaryota PMID[23102654]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT582 Individual Protein Monoamine oxidase B Homo sapiens IC50 = 6390 nM 22014827
NPT1474 Individual Protein ATP-dependent Clp protease proteolytic subunit Bacillus subtilis (strain 168) Potency 31622.8 nM 25978520
NPT56 Individual Protein Beta-lactamase AmpC Escherichia coli K-12 Potency = 35481.3 nM 21924799
NPT261 Individual Protein Monoamine oxidase A Homo sapiens IC50 > 100000 nM 22698782
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 8275.3 nM 10.6019/CHEMBL1201861
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 29092.9 nM 21377877
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 96000 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 16944.1 nM 19874044
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 > 95780 nM 22264149
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 35481.3 nM 18989978
NPT151 Individual Protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 31622.8 nM 18183025
NPT501 Individual Protein Alpha-galactosidase A Homo sapiens Potency 11220.2 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified Potency 12589.3 nM 19506065
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 18526 nM 17343407
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 70794.6 nM 19072548
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 31622.8 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 NPC469808 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
0.9242 High Similarity NPC167096
0.9173 High Similarity NPC251454
0.9173 High Similarity NPC196609
0.9173 High Similarity NPC230698
0.9173 High Similarity NPC205178
0.9173 High Similarity NPC73883
0.9173 High Similarity NPC277042
0.9173 High Similarity NPC255817
0.9173 High Similarity NPC136330
0.9104 High Similarity NPC99078
0.9037 High Similarity NPC470707
0.9037 High Similarity NPC220923
0.9037 High Similarity NPC252107
0.8947 High Similarity NPC217574
0.8815 High Similarity NPC103947
0.8815 High Similarity NPC94280
0.8815 High Similarity NPC159150
0.8815 High Similarity NPC193673
0.8815 High Similarity NPC45783
0.8815 High Similarity NPC328419
0.875 High Similarity NPC96406
0.8686 High Similarity NPC137172
0.8686 High Similarity NPC145446
0.8623 High Similarity NPC248505
0.8623 High Similarity NPC95366
0.8613 High Similarity NPC180647
0.8521 High Similarity NPC244338
0.8489 Intermediate Similarity NPC225745
0.8435 Intermediate Similarity NPC270811
0.8435 Intermediate Similarity NPC471073
0.8394 Intermediate Similarity NPC318862
0.8154 Intermediate Similarity NPC111225
0.8099 Intermediate Similarity NPC194359
0.8099 Intermediate Similarity NPC28641
0.8092 Intermediate Similarity NPC199209
0.8092 Intermediate Similarity NPC212643
0.806 Intermediate Similarity NPC193484
0.806 Intermediate Similarity NPC114845
0.8042 Intermediate Similarity NPC231572
0.7972 Intermediate Similarity NPC214036
0.7972 Intermediate Similarity NPC113236
0.797 Intermediate Similarity NPC69670
0.797 Intermediate Similarity NPC57501
0.7961 Intermediate Similarity NPC169742
0.7959 Intermediate Similarity NPC469978
0.7902 Intermediate Similarity NPC416184
0.7887 Intermediate Similarity NPC284855
0.7887 Intermediate Similarity NPC282477
0.7868 Intermediate Similarity NPC256167
0.7834 Intermediate Similarity NPC231198
0.7826 Intermediate Similarity NPC85830
0.7778 Intermediate Similarity NPC470708
0.7778 Intermediate Similarity NPC7018
0.7752 Intermediate Similarity NPC127326
0.7748 Intermediate Similarity NPC470088
0.7692 Intermediate Similarity NPC31279
0.763 Intermediate Similarity NPC277460
0.7626 Intermediate Similarity NPC300955
0.7589 Intermediate Similarity NPC64948
0.7582 Intermediate Similarity NPC223125
0.758 Intermediate Similarity NPC329640
0.758 Intermediate Similarity NPC106786
0.7571 Intermediate Similarity NPC152186
0.7571 Intermediate Similarity NPC182147
0.7571 Intermediate Similarity NPC207541
0.7571 Intermediate Similarity NPC246133
0.7571 Intermediate Similarity NPC170583
0.7571 Intermediate Similarity NPC71105
0.7557 Intermediate Similarity NPC179309
0.7532 Intermediate Similarity NPC474852
0.7518 Intermediate Similarity NPC251466
0.7518 Intermediate Similarity NPC156944
0.7517 Intermediate Similarity NPC473463
0.7484 Intermediate Similarity NPC223124
0.7483 Intermediate Similarity NPC470706
0.7465 Intermediate Similarity NPC157740
0.7465 Intermediate Similarity NPC99798
0.7465 Intermediate Similarity NPC191302
0.7465 Intermediate Similarity NPC41331
0.7465 Intermediate Similarity NPC291449
0.7463 Intermediate Similarity NPC294941
0.7451 Intermediate Similarity NPC475959
0.7447 Intermediate Similarity NPC120066
0.7445 Intermediate Similarity NPC37858
0.7438 Intermediate Similarity NPC59567
0.7413 Intermediate Similarity NPC469977
0.7413 Intermediate Similarity NPC246974
0.7413 Intermediate Similarity NPC147247
0.7391 Intermediate Similarity NPC344161
0.7391 Intermediate Similarity NPC202474
0.7383 Intermediate Similarity NPC226005
0.7372 Intermediate Similarity NPC124916
0.7365 Intermediate Similarity NPC102260
0.7365 Intermediate Similarity NPC230968
0.7361 Intermediate Similarity NPC476748
0.7353 Intermediate Similarity NPC471650
0.7353 Intermediate Similarity NPC268317
0.7346 Intermediate Similarity NPC329717
0.7346 Intermediate Similarity NPC474858
0.7343 Intermediate Similarity NPC286683
0.7338 Intermediate Similarity NPC204466
0.7315 Intermediate Similarity NPC20796
0.7315 Intermediate Similarity NPC166184
0.731 Intermediate Similarity NPC477694
0.731 Intermediate Similarity NPC237579
0.731 Intermediate Similarity NPC477705
0.7308 Intermediate Similarity NPC119669
0.7299 Intermediate Similarity NPC280001
0.7299 Intermediate Similarity NPC33271
0.7299 Intermediate Similarity NPC185738
0.7297 Intermediate Similarity NPC55040
0.7289 Intermediate Similarity NPC287152
0.7286 Intermediate Similarity NPC70752
0.7286 Intermediate Similarity NPC80241
0.7286 Intermediate Similarity NPC301641
0.7284 Intermediate Similarity NPC306669
0.7284 Intermediate Similarity NPC247972
0.7273 Intermediate Similarity NPC218323
0.7267 Intermediate Similarity NPC178290
0.7266 Intermediate Similarity NPC2058
0.7261 Intermediate Similarity NPC148898
0.726 Intermediate Similarity NPC118419
0.726 Intermediate Similarity NPC477706
0.7256 Intermediate Similarity NPC241055
0.7255 Intermediate Similarity NPC110337
0.7254 Intermediate Similarity NPC246704
0.7248 Intermediate Similarity NPC37468
0.7248 Intermediate Similarity NPC157554
0.7248 Intermediate Similarity NPC186418
0.7246 Intermediate Similarity NPC164706
0.7246 Intermediate Similarity NPC272471
0.7246 Intermediate Similarity NPC107588
0.7246 Intermediate Similarity NPC137537
0.7246 Intermediate Similarity NPC70744
0.7241 Intermediate Similarity NPC160193
0.7239 Intermediate Similarity NPC245552
0.7234 Intermediate Similarity NPC288238
0.723 Intermediate Similarity NPC11147
0.723 Intermediate Similarity NPC7163
0.723 Intermediate Similarity NPC138365
0.7226 Intermediate Similarity NPC59907
0.7226 Intermediate Similarity NPC37144
0.7222 Intermediate Similarity NPC172403
0.7222 Intermediate Similarity NPC158737
0.7222 Intermediate Similarity NPC218614
0.7219 Intermediate Similarity NPC278076
0.7214 Intermediate Similarity NPC471877
0.7209 Intermediate Similarity NPC12714
0.7209 Intermediate Similarity NPC310905
0.7205 Intermediate Similarity NPC158900
0.7203 Intermediate Similarity NPC289459
0.7197 Intermediate Similarity NPC258171
0.7194 Intermediate Similarity NPC119949
0.7181 Intermediate Similarity NPC240915
0.7178 Intermediate Similarity NPC168409
0.7174 Intermediate Similarity NPC39793
0.7172 Intermediate Similarity NPC165128
0.7172 Intermediate Similarity NPC226862
0.7172 Intermediate Similarity NPC158471
0.7172 Intermediate Similarity NPC57119
0.717 Intermediate Similarity NPC138487
0.717 Intermediate Similarity NPC93593
0.717 Intermediate Similarity NPC41178
0.717 Intermediate Similarity NPC78733
0.717 Intermediate Similarity NPC216459
0.7162 Intermediate Similarity NPC205915
0.7162 Intermediate Similarity NPC29650
0.7153 Intermediate Similarity NPC213711
0.7153 Intermediate Similarity NPC40352
0.7153 Intermediate Similarity NPC120225
0.7153 Intermediate Similarity NPC213552
0.7152 Intermediate Similarity NPC233029
0.7152 Intermediate Similarity NPC210148
0.7152 Intermediate Similarity NPC100389
0.7143 Intermediate Similarity NPC222175
0.7143 Intermediate Similarity NPC297342
0.7143 Intermediate Similarity NPC110063
0.7143 Intermediate Similarity NPC474470
0.7135 Intermediate Similarity NPC116007
0.7135 Intermediate Similarity NPC83511
0.7133 Intermediate Similarity NPC254610
0.7133 Intermediate Similarity NPC146886
0.7133 Intermediate Similarity NPC20443
0.7133 Intermediate Similarity NPC60517
0.7132 Intermediate Similarity NPC303522
0.7126 Intermediate Similarity NPC329992
0.7125 Intermediate Similarity NPC146288
0.7125 Intermediate Similarity NPC234392
0.7125 Intermediate Similarity NPC31311
0.7122 Intermediate Similarity NPC159916
0.7114 Intermediate Similarity NPC110958
0.7114 Intermediate Similarity NPC19890
0.7105 Intermediate Similarity NPC210478
0.7105 Intermediate Similarity NPC202700
0.7099 Intermediate Similarity NPC292792
0.7099 Intermediate Similarity NPC26353
0.7097 Intermediate Similarity NPC83743
0.7097 Intermediate Similarity NPC262182
0.7097 Intermediate Similarity NPC287615
0.7097 Intermediate Similarity NPC216819

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC469808 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
0.9173 High Similarity NPD2492 Phase 1
0.8027 Intermediate Similarity NPD5297 Approved
0.7959 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.7716 Intermediate Similarity NPD3885 Approved
0.7616 Intermediate Similarity NPD3688 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD3146 Approved
0.7597 Intermediate Similarity NPD1337 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD4210 Discontinued
0.74 Intermediate Similarity NPD4236 Phase 3
0.74 Intermediate Similarity NPD4237 Approved
0.7379 Intermediate Similarity NPD554 Clinical (unspecified phase)
0.7319 Intermediate Similarity NPD1357 Approved
0.7299 Intermediate Similarity NPD5536 Phase 2
0.7297 Intermediate Similarity NPD7119 Phase 2
0.7296 Intermediate Similarity NPD5353 Approved
0.7292 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7286 Intermediate Similarity NPD3705 Approved
0.7266 Intermediate Similarity NPD2423 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD1358 Approved
0.7192 Intermediate Similarity NPD5718 Phase 2
0.719 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD1375 Discontinued
0.7135 Intermediate Similarity NPD5457 Discontinued
0.7133 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD5563 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD1372 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD3596 Phase 2
0.7089 Intermediate Similarity NPD824 Approved
0.7086 Intermediate Similarity NPD1725 Approved
0.7075 Intermediate Similarity NPD1336 Approved
0.7063 Intermediate Similarity NPD7945 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD776 Approved
0.7027 Intermediate Similarity NPD3531 Approved
0.7027 Intermediate Similarity NPD3532 Approved
0.7027 Intermediate Similarity NPD3530 Approved
0.7025 Intermediate Similarity NPD4124 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD2978 Approved
0.7019 Intermediate Similarity NPD2977 Approved
0.7006 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7110 Phase 1
0.7 Intermediate Similarity NPD7109 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6385 Approved
0.7 Intermediate Similarity NPD6386 Approved
0.6993 Remote Similarity NPD4664 Clinical (unspecified phase)
0.6968 Remote Similarity NPD2219 Phase 1
0.6968 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6962 Remote Similarity NPD6662 Clinical (unspecified phase)
0.6954 Remote Similarity NPD743 Approved
0.6948 Remote Similarity NPD4162 Approved
0.6944 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6943 Remote Similarity NPD4123 Phase 3
0.6929 Remote Similarity NPD1408 Clinical (unspecified phase)
0.6929 Remote Similarity NPD1102 Approved
0.6929 Remote Similarity NPD1103 Approved
0.6928 Remote Similarity NPD3656 Approved
0.6923 Remote Similarity NPD160 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5295 Discontinued
0.6918 Remote Similarity NPD6584 Phase 3
0.6909 Remote Similarity NPD5677 Discontinued
0.6908 Remote Similarity NPD2164 Clinical (unspecified phase)
0.6892 Remote Similarity NPD2669 Clinical (unspecified phase)
0.689 Remote Similarity NPD5604 Discontinued
0.6887 Remote Similarity NPD2653 Approved
0.6884 Remote Similarity NPD5283 Phase 1
0.6879 Remote Similarity NPD6580 Approved
0.6879 Remote Similarity NPD4357 Discontinued
0.6879 Remote Similarity NPD6853 Approved
0.6879 Remote Similarity NPD6581 Approved
0.6879 Remote Similarity NPD6851 Approved
0.6871 Remote Similarity NPD5978 Approved
0.6871 Remote Similarity NPD5977 Approved
0.6867 Remote Similarity NPD3142 Approved
0.6867 Remote Similarity NPD3140 Approved
0.6866 Remote Similarity NPD3134 Approved
0.6863 Remote Similarity NPD6032 Approved
0.6853 Remote Similarity NPD155 Clinical (unspecified phase)
0.6842 Remote Similarity NPD6895 Approved
0.6842 Remote Similarity NPD6896 Approved
0.6839 Remote Similarity NPD3060 Approved
0.6835 Remote Similarity NPD1754 Clinical (unspecified phase)
0.6833 Remote Similarity NPD4420 Approved
0.6831 Remote Similarity NPD6830 Clinical (unspecified phase)
0.6831 Remote Similarity NPD2595 Approved
0.6831 Remote Similarity NPD2594 Approved
0.6829 Remote Similarity NPD5019 Clinical (unspecified phase)
0.6821 Remote Similarity NPD1341 Clinical (unspecified phase)
0.6821 Remote Similarity NPD7281 Phase 3
0.6821 Remote Similarity NPD7280 Phase 3
0.6816 Remote Similarity NPD5582 Discontinued
0.6815 Remote Similarity NPD5756 Phase 2
0.6803 Remote Similarity NPD7018 Phase 2
0.6795 Remote Similarity NPD5481 Discontinued
0.6795 Remote Similarity NPD2085 Suspended
0.6795 Remote Similarity NPD2086 Clinical (unspecified phase)
0.6792 Remote Similarity NPD1975 Clinical (unspecified phase)
0.679 Remote Similarity NPD6873 Phase 2
0.6786 Remote Similarity NPD2557 Approved
0.6786 Remote Similarity NPD5242 Approved
0.6781 Remote Similarity NPD2922 Phase 1
0.6779 Remote Similarity NPD5746 Approved
0.6772 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6766 Remote Similarity NPD6107 Approved
0.6763 Remote Similarity NPD7132 Clinical (unspecified phase)
0.6757 Remote Similarity NPD7607 Clinical (unspecified phase)
0.6757 Remote Similarity NPD2237 Approved
0.6753 Remote Similarity NPD3454 Phase 3
0.6752 Remote Similarity NPD5241 Discontinued
0.675 Remote Similarity NPD6030 Approved
0.675 Remote Similarity NPD5976 Discontinued
0.675 Remote Similarity NPD6031 Approved
0.6744 Remote Similarity NPD6297 Approved
0.6739 Remote Similarity NPD228 Approved
0.6733 Remote Similarity NPD7294 Phase 1
0.6733 Remote Similarity NPD3374 Clinical (unspecified phase)
0.6731 Remote Similarity NPD5289 Phase 2
0.673 Remote Similarity NPD4584 Approved
0.673 Remote Similarity NPD4739 Approved
0.6728 Remote Similarity NPD6876 Approved
0.6728 Remote Similarity NPD6875 Approved
0.6728 Remote Similarity NPD4678 Approved
0.6728 Remote Similarity NPD4675 Approved
0.6726 Remote Similarity NPD4166 Phase 2
0.6725 Remote Similarity NPD5312 Approved
0.6725 Remote Similarity NPD5313 Approved
0.6723 Remote Similarity NPD7235 Clinical (unspecified phase)
0.6713 Remote Similarity NPD6382 Discontinued
0.6712 Remote Similarity NPD6543 Approved
0.6712 Remote Similarity NPD6582 Phase 2
0.6712 Remote Similarity NPD6542 Approved
0.6712 Remote Similarity NPD6540 Phase 3
0.6712 Remote Similarity NPD3685 Discontinued
0.6712 Remote Similarity NPD1420 Approved
0.6712 Remote Similarity NPD1421 Approved
0.6712 Remote Similarity NPD6539 Approved
0.6712 Remote Similarity NPD6583 Phase 3
0.6708 Remote Similarity NPD3686 Approved
0.6708 Remote Similarity NPD1653 Approved
0.6708 Remote Similarity NPD3687 Approved
0.6707 Remote Similarity NPD5773 Approved
0.6707 Remote Similarity NPD5772 Approved
0.6689 Remote Similarity NPD5745 Approved
0.6689 Remote Similarity NPD2245 Discovery
0.6689 Remote Similarity NPD1726 Clinical (unspecified phase)
0.6688 Remote Similarity NPD4108 Discontinued
0.6687 Remote Similarity NPD8031 Discontinued
0.6685 Remote Similarity NPD5005 Approved
0.6685 Remote Similarity NPD5006 Approved
0.6667 Remote Similarity NPD2671 Approved
0.6667 Remote Similarity NPD2673 Approved
0.6667 Remote Similarity NPD4579 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7258 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1774 Approved
0.6667 Remote Similarity NPD7037 Approved
0.6667 Remote Similarity NPD7153 Discontinued
0.6647 Remote Similarity NPD4481 Phase 3
0.6646 Remote Similarity NPD7317 Phase 3
0.6646 Remote Similarity NPD3641 Approved
0.6646 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6646 Remote Similarity NPD3640 Phase 3
0.6646 Remote Similarity NPD2122 Discontinued
0.6646 Remote Similarity NPD1670 Discontinued
0.6646 Remote Similarity NPD3639 Approved
0.6644 Remote Similarity NPD9494 Approved
0.6643 Remote Similarity NPD7533 Approved
0.6643 Remote Similarity NPD1182 Approved
0.6643 Remote Similarity NPD7534 Approved
0.6625 Remote Similarity NPD1424 Approved
0.6624 Remote Similarity NPD5177 Phase 3
0.6623 Remote Similarity NPD3145 Approved
0.6623 Remote Similarity NPD3144 Approved
0.6622 Remote Similarity NPD1817 Approved
0.6622 Remote Similarity NPD1820 Approved
0.6622 Remote Similarity NPD1818 Approved
0.6622 Remote Similarity NPD1819 Approved
0.6607 Remote Similarity NPD2041 Clinical (unspecified phase)
0.6607 Remote Similarity NPD2042 Clinical (unspecified phase)
0.6606 Remote Similarity NPD6818 Clinical (unspecified phase)
0.6601 Remote Similarity NPD4622 Approved
0.6601 Remote Similarity NPD4618 Approved
0.6601 Remote Similarity NPD1933 Approved
0.6592 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6591 Remote Similarity NPD6618 Phase 2
0.6588 Remote Similarity NPD2388 Discontinued
0.6582 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6582 Remote Similarity NPD4110 Phase 3
0.6579 Remote Similarity NPD2674 Phase 3
0.6573 Remote Similarity NPD4157 Discontinued
0.6573 Remote Similarity NPD7291 Discontinued
0.6566 Remote Similarity NPD7318 Phase 3
0.6564 Remote Similarity NPD3866 Clinical (unspecified phase)
0.6561 Remote Similarity NPD2897 Discontinued
0.6556 Remote Similarity NPD3180 Approved
0.6556 Remote Similarity NPD5163 Phase 2
0.6556 Remote Similarity NPD3179 Approved
0.6554 Remote Similarity NPD6541 Approved
0.6554 Remote Similarity NPD2079 Discontinued
0.6554 Remote Similarity NPD6538 Approved
0.655 Remote Similarity NPD2898 Approved
0.6545 Remote Similarity NPD3384 Approved

Structure

External Identifiers

PubChem CID   682145
ChEMBL   CHEMBL118703
ZINC  

Physicochemical Properties

Molecular Weight:  261.10
ALogP:  -0.6841
MLogP:  2.45
XLogP:  1.209
# Rotatable Bonds:  3
Polar Surface Area:  48
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  19

Download Data

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Biological Activities  
Similar NPs/Drugs