Natural Product: NPC469978

Natural Product ID:  NPC469978
Common Name:   Sid14737105
IUPAC Name:   1-(1,3-benzodioxol-5-yl)-3-piperidin-1-ylpropan-1-one
Synonyms:  
Molecular Formula:   C15H19NO3
Standard InCHIKey:  DJXZMJWCDITTEO-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H19NO3/c17-13(6-9-16-7-2-1-3-8-16)12-4-5-14-15(10-12)19-11-18-14/h4-5,10H,1-3,6-9,11H2
Canonical SMILES:  O=C(c1ccc2c(c1)OCO2)CCN1CCCCC1
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
NPT698 Individual Protein Regulator of G-protein signaling 4 Homo sapiens Potency 44668.4 nM 10.1021/np9606815
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 56234.1 nM DrugMatrix in vitro pharmacology data
NPT582 Individual Protein Monoamine oxidase B Homo sapiens IC50 = 3430 nM 23819826
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 316.2 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 25.1 nM 25372480
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 7943.3 nM 24467317
NPT10 Individual Protein Geminin Homo sapiens Potency 31622.8 nM 21036050
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 3162.3 nM 17132069
NPT2 Others Unspecified Potency 10322.5 nM 23672185
NPT2 Others Unspecified Potency 7307.8 nM 24702857
NPT2 Others Unspecified Potency = 11582.1 nM 19627125
NPT261 Individual Protein Monoamine oxidase A Homo sapiens IC50 > 100000 nM 20627740
NPT65 Cell Line HepG2 Homo sapiens Potency 17782.8 nM PubChem BioAssay data set
NPT159 Individual Protein Aberrant vpr protein Human immunodeficiency virus 1 Potency 7943.3 nM 20441162
NPT3 Individual Protein Thioredoxin glutathione reductase Schistosoma mansoni Potency = 281.8 nM 12617583
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 25118.9 nM 19124661
NPT2 Others Unspecified IC50 > 47100 nM 1517737
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 12589.3 nM 10346950
NPT151 Individual Protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 35481.3 nM 22608855
NPT831 Individual Protein Serine/threonine-protein kinase PLK1 Homo sapiens Potency 21192.3 nM 19586051
NPT1043 Individual Protein Glycoprotein hormones alpha chain Homo sapiens Potency 5623.4 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 11220.2 nM 19762244
NPT888 Individual Protein 78 kDa glucose-regulated protein Homo sapiens Potency 44668.4 nM 18625769
NPT2 Others Unspecified EC50 > 53000 nM Open TG-GATES in vivo data: Hematology
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 44668.4 nM Open TG-GATES in vivo data: Biochemistry
NPT821 Individual Protein Werner syndrome ATP-dependent helicase Homo sapiens Potency 50118.7 nM 18163588

  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 NPC469978 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
0.9574 High Similarity NPC470088
0.8794 High Similarity NPC225745
0.8686 High Similarity NPC286683
0.8662 High Similarity NPC252107
0.8652 High Similarity NPC180647
0.8649 High Similarity NPC469540
0.8649 High Similarity NPC469539
0.8592 High Similarity NPC99078
0.8582 High Similarity NPC167096
0.8552 High Similarity NPC908
0.8552 High Similarity NPC138438
0.8543 High Similarity NPC470708
0.8531 High Similarity NPC220923
0.8521 High Similarity NPC230698
0.8521 High Similarity NPC73883
0.8521 High Similarity NPC251454
0.8521 High Similarity NPC196609
0.8521 High Similarity NPC277042
0.8521 High Similarity NPC255817
0.8521 High Similarity NPC136330
0.8521 High Similarity NPC205178
0.8403 Intermediate Similarity NPC194359
0.8403 Intermediate Similarity NPC470707
0.8403 Intermediate Similarity NPC28641
0.8313 Intermediate Similarity NPC67978
0.8313 Intermediate Similarity NPC303581
0.8302 Intermediate Similarity NPC86469
0.8273 Intermediate Similarity NPC120066
0.821 Intermediate Similarity NPC308267
0.8207 Intermediate Similarity NPC145446
0.8207 Intermediate Similarity NPC137172
0.8175 Intermediate Similarity NPC225245
0.817 Intermediate Similarity NPC119669
0.8153 Intermediate Similarity NPC26353
0.8151 Intermediate Similarity NPC95366
0.8151 Intermediate Similarity NPC248505
0.8138 Intermediate Similarity NPC96406
0.8129 Intermediate Similarity NPC474691
0.8129 Intermediate Similarity NPC169742
0.8113 Intermediate Similarity NPC35345
0.8069 Intermediate Similarity NPC45783
0.8069 Intermediate Similarity NPC159150
0.8069 Intermediate Similarity NPC193673
0.8069 Intermediate Similarity NPC328419
0.8069 Intermediate Similarity NPC103947
0.8069 Intermediate Similarity NPC94280
0.8067 Intermediate Similarity NPC86455
0.8067 Intermediate Similarity NPC125134
0.8067 Intermediate Similarity NPC137920
0.8056 Intermediate Similarity NPC318862
0.8056 Intermediate Similarity NPC217574
0.8054 Intermediate Similarity NPC28398
0.8013 Intermediate Similarity NPC46880
0.8 Intermediate Similarity NPC121400
0.7986 Intermediate Similarity NPC477694
0.7986 Intermediate Similarity NPC477705
0.7961 Intermediate Similarity NPC327052
0.7959 Intermediate Similarity NPC469808
0.7943 Intermediate Similarity NPC30216
0.7931 Intermediate Similarity NPC477706
0.7891 Intermediate Similarity NPC45404
0.7885 Intermediate Similarity NPC270811
0.7885 Intermediate Similarity NPC471073
0.7879 Intermediate Similarity NPC207721
0.7875 Intermediate Similarity NPC153631
0.7857 Intermediate Similarity NPC24257
0.7857 Intermediate Similarity NPC153620
0.7844 Intermediate Similarity NPC27887
0.7843 Intermediate Similarity NPC229787
0.7838 Intermediate Similarity NPC7018
0.7831 Intermediate Similarity NPC85613
0.7818 Intermediate Similarity NPC329992
0.7812 Intermediate Similarity NPC135006
0.7801 Intermediate Similarity NPC256167
0.7792 Intermediate Similarity NPC296575
0.7792 Intermediate Similarity NPC224687
0.7786 Intermediate Similarity NPC295317
0.7778 Intermediate Similarity NPC64948
0.7778 Intermediate Similarity NPC141440
0.7778 Intermediate Similarity NPC32163
0.7778 Intermediate Similarity NPC16651
0.7765 Intermediate Similarity NPC18306
0.7756 Intermediate Similarity NPC223125
0.7755 Intermediate Similarity NPC153453
0.7742 Intermediate Similarity NPC153644
0.7733 Intermediate Similarity NPC231572
0.7718 Intermediate Similarity NPC38101
0.7718 Intermediate Similarity NPC416184
0.7708 Intermediate Similarity NPC154275
0.7706 Intermediate Similarity NPC116007
0.7667 Intermediate Similarity NPC102260
0.7667 Intermediate Similarity NPC230968
0.7658 Intermediate Similarity NPC223124
0.7658 Intermediate Similarity NPC58661
0.7643 Intermediate Similarity NPC478189
0.764 Intermediate Similarity NPC106786
0.7639 Intermediate Similarity NPC473626
0.7632 Intermediate Similarity NPC470855
0.7622 Intermediate Similarity NPC474858
0.7619 Intermediate Similarity NPC5167
0.7619 Intermediate Similarity NPC35680
0.7616 Intermediate Similarity NPC169387
0.7616 Intermediate Similarity NPC477259
0.7607 Intermediate Similarity NPC59567
0.7602 Intermediate Similarity NPC83511
0.76 Intermediate Similarity NPC89504
0.76 Intermediate Similarity NPC95485
0.76 Intermediate Similarity NPC88065
0.7597 Intermediate Similarity NPC472564
0.7595 Intermediate Similarity NPC37220
0.7595 Intermediate Similarity NPC205054
0.7588 Intermediate Similarity NPC473562
0.7586 Intermediate Similarity NPC305717
0.7584 Intermediate Similarity NPC473463
0.7571 Intermediate Similarity NPC71124
0.7562 Intermediate Similarity NPC308555
0.7561 Intermediate Similarity NPC306669
0.7554 Intermediate Similarity NPC111225
0.7545 Intermediate Similarity NPC227683
0.7543 Intermediate Similarity NPC254957
0.7532 Intermediate Similarity NPC104956
0.7528 Intermediate Similarity NPC5374
0.7528 Intermediate Similarity NPC207239
0.7518 Intermediate Similarity NPC69670
0.7517 Intermediate Similarity NPC266425
0.7517 Intermediate Similarity NPC50763
0.7516 Intermediate Similarity NPC475959
0.7516 Intermediate Similarity NPC244371
0.7516 Intermediate Similarity NPC478213
0.7515 Intermediate Similarity NPC283810
0.7514 Intermediate Similarity NPC471650
0.75 Intermediate Similarity NPC220577
0.75 Intermediate Similarity NPC199209
0.75 Intermediate Similarity NPC31279
0.75 Intermediate Similarity NPC212643
0.75 Intermediate Similarity NPC66905
0.75 Intermediate Similarity NPC285776
0.7486 Intermediate Similarity NPC226708
0.7486 Intermediate Similarity NPC63152
0.7485 Intermediate Similarity NPC158900
0.7484 Intermediate Similarity NPC227980
0.7484 Intermediate Similarity NPC244338
0.7471 Intermediate Similarity NPC329816
0.7469 Intermediate Similarity NPC3273
0.7469 Intermediate Similarity NPC254163
0.7468 Intermediate Similarity NPC51681
0.7467 Intermediate Similarity NPC205915
0.7458 Intermediate Similarity NPC33256
0.7453 Intermediate Similarity NPC153008
0.7453 Intermediate Similarity NPC148497
0.7453 Intermediate Similarity NPC68882
0.7453 Intermediate Similarity NPC137813
0.7451 Intermediate Similarity NPC470962
0.745 Intermediate Similarity NPC118419
0.7445 Intermediate Similarity NPC23332
0.7438 Intermediate Similarity NPC234152
0.7436 Intermediate Similarity NPC15743
0.7432 Intermediate Similarity NPC470706
0.7432 Intermediate Similarity NPC160193
0.7431 Intermediate Similarity NPC114298
0.7423 Intermediate Similarity NPC261484
0.7423 Intermediate Similarity NPC261090
0.7421 Intermediate Similarity NPC127827
0.7418 Intermediate Similarity NPC268077
0.7417 Intermediate Similarity NPC19890
0.7417 Intermediate Similarity NPC110958
0.7415 Intermediate Similarity NPC203719
0.7415 Intermediate Similarity NPC191302
0.7415 Intermediate Similarity NPC157740
0.7415 Intermediate Similarity NPC99798
0.7415 Intermediate Similarity NPC117237
0.7407 Intermediate Similarity NPC57211
0.7405 Intermediate Similarity NPC88345
0.74 Intermediate Similarity NPC111888
0.7397 Intermediate Similarity NPC85830
0.7396 Intermediate Similarity NPC4669
0.7394 Intermediate Similarity NPC57501
0.7391 Intermediate Similarity NPC279061
0.7391 Intermediate Similarity NPC289438
0.7391 Intermediate Similarity NPC118332
0.7383 Intermediate Similarity NPC299010
0.7379 Intermediate Similarity NPC242372
0.7379 Intermediate Similarity NPC4181
0.7379 Intermediate Similarity NPC257976
0.7379 Intermediate Similarity NPC164778
0.7378 Intermediate Similarity NPC474990
0.7378 Intermediate Similarity NPC258644
0.7378 Intermediate Similarity NPC82733
0.7378 Intermediate Similarity NPC76458
0.7378 Intermediate Similarity NPC310206
0.7378 Intermediate Similarity NPC226759
0.7376 Intermediate Similarity NPC469954
0.7372 Intermediate Similarity NPC183648
0.7368 Intermediate Similarity NPC204592
0.7368 Intermediate Similarity NPC139519
0.7365 Intermediate Similarity NPC246974
0.7365 Intermediate Similarity NPC147247
0.7365 Intermediate Similarity NPC469977
0.7363 Intermediate Similarity NPC207971
0.7362 Intermediate Similarity NPC478238

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC469978 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
0.8521 High Similarity NPD2492 Phase 1
0.838 Intermediate Similarity NPD3140 Approved
0.838 Intermediate Similarity NPD3142 Approved
0.8377 Intermediate Similarity NPD5978 Approved
0.8377 Intermediate Similarity NPD5977 Approved
0.8182 Intermediate Similarity NPD6385 Approved
0.8182 Intermediate Similarity NPD6386 Approved
0.8117 Intermediate Similarity NPD1337 Clinical (unspecified phase)
0.7834 Intermediate Similarity NPD6873 Phase 2
0.7821 Intermediate Similarity NPD824 Approved
0.7799 Intermediate Similarity NPD5353 Approved
0.7692 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7662 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.761 Intermediate Similarity NPD7110 Phase 1
0.761 Intermediate Similarity NPD7109 Clinical (unspecified phase)
0.758 Intermediate Similarity NPD3641 Approved
0.758 Intermediate Similarity NPD3639 Approved
0.758 Intermediate Similarity NPD6662 Clinical (unspecified phase)
0.758 Intermediate Similarity NPD3640 Phase 3
0.7568 Intermediate Similarity NPD554 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5718 Phase 2
0.7484 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD743 Approved
0.747 Intermediate Similarity NPD5242 Approved
0.7468 Intermediate Similarity NPD2654 Approved
0.7415 Intermediate Similarity NPD9494 Approved
0.7389 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD3688 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD3146 Approved
0.7329 Intermediate Similarity NPD6875 Approved
0.7329 Intermediate Similarity NPD6876 Approved
0.7317 Intermediate Similarity NPD5019 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD5457 Discontinued
0.7283 Intermediate Similarity NPD7607 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD4420 Approved
0.7278 Intermediate Similarity NPD5297 Approved
0.7254 Intermediate Similarity NPD5536 Phase 2
0.725 Intermediate Similarity NPD1670 Discontinued
0.725 Intermediate Similarity NPD5586 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD7577 Discontinued
0.7239 Intermediate Similarity NPD6844 Discontinued
0.7208 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD2669 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1755 Approved
0.7143 Intermediate Similarity NPD6618 Phase 2
0.7134 Intermediate Similarity NPD6280 Approved
0.7134 Intermediate Similarity NPD6279 Approved
0.712 Intermediate Similarity NPD5006 Approved
0.712 Intermediate Similarity NPD956 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD5005 Approved
0.7086 Intermediate Similarity NPD7281 Phase 3
0.7086 Intermediate Similarity NPD7280 Phase 3
0.7086 Intermediate Similarity NPD3534 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD2653 Approved
0.7075 Intermediate Similarity NPD3972 Approved
0.707 Intermediate Similarity NPD4664 Clinical (unspecified phase)
0.7066 Intermediate Similarity NPD1307 Phase 2
0.7066 Intermediate Similarity NPD1309 Phase 2
0.7055 Intermediate Similarity NPD2649 Approved
0.7055 Intermediate Similarity NPD2651 Approved
0.7048 Intermediate Similarity NPD5616 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD2822 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD2163 Approved
0.7035 Intermediate Similarity NPD3818 Discontinued
0.7032 Intermediate Similarity NPD6896 Approved
0.7032 Intermediate Similarity NPD6895 Approved
0.703 Intermediate Similarity NPD7945 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD4236 Phase 3
0.7025 Intermediate Similarity NPD4237 Approved
0.7024 Intermediate Similarity NPD6862 Phase 2
0.7017 Intermediate Similarity NPD4413 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD1933 Approved
0.7012 Intermediate Similarity NPD2592 Discontinued
0.7011 Intermediate Similarity NPD4107 Approved
0.6989 Remote Similarity NPD2968 Approved
0.6989 Remote Similarity NPD2971 Approved
0.6983 Remote Similarity NPD7235 Clinical (unspecified phase)
0.6972 Remote Similarity NPD1241 Discontinued
0.6971 Remote Similarity NPD7038 Approved
0.6971 Remote Similarity NPD7039 Approved
0.697 Remote Similarity NPD5890 Approved
0.697 Remote Similarity NPD5889 Approved
0.6964 Remote Similarity NPD5604 Discontinued
0.6962 Remote Similarity NPD3655 Clinical (unspecified phase)
0.6949 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7291 Discontinued
0.6919 Remote Similarity NPD4575 Clinical (unspecified phase)
0.6919 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6918 Remote Similarity NPD1357 Approved
0.6913 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6909 Remote Similarity NPD7028 Phase 2
0.6909 Remote Similarity NPD6585 Discontinued
0.6905 Remote Similarity NPD3882 Suspended
0.6905 Remote Similarity NPD4947 Clinical (unspecified phase)
0.6901 Remote Similarity NPD6808 Phase 2
0.6894 Remote Similarity NPD160 Clinical (unspecified phase)
0.6892 Remote Similarity NPD3705 Approved
0.6886 Remote Similarity NPD2977 Approved
0.6886 Remote Similarity NPD2978 Approved
0.6882 Remote Similarity NPD4482 Phase 3
0.6882 Remote Similarity NPD5494 Approved
0.6871 Remote Similarity NPD2186 Approved
0.6867 Remote Similarity NPD1876 Approved
0.6859 Remote Similarity NPD5914 Approved
0.6851 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6848 Remote Similarity NPD3455 Phase 2
0.6845 Remote Similarity NPD3057 Approved
0.6842 Remote Similarity NPD2821 Approved
0.6832 Remote Similarity NPD3295 Clinical (unspecified phase)
0.6829 Remote Similarity NPD7427 Discontinued
0.6821 Remote Similarity NPD2898 Approved
0.6815 Remote Similarity NPD6111 Discontinued
0.6813 Remote Similarity NPD5177 Phase 3
0.6811 Remote Similarity NPD5071 Phase 2
0.681 Remote Similarity NPD4662 Approved
0.681 Remote Similarity NPD4584 Approved
0.681 Remote Similarity NPD4661 Approved
0.68 Remote Similarity NPD5313 Approved
0.68 Remote Similarity NPD5312 Approved
0.6796 Remote Similarity NPD6377 Clinical (unspecified phase)
0.6795 Remote Similarity NPD4618 Approved
0.6795 Remote Similarity NPD4622 Approved
0.6795 Remote Similarity NPD447 Suspended
0.6792 Remote Similarity NPD1375 Discontinued
0.6788 Remote Similarity NPD4210 Discontinued
0.678 Remote Similarity NPD1298 Discontinued
0.6776 Remote Similarity NPD2798 Approved
0.6774 Remote Similarity NPD3532 Approved
0.6774 Remote Similarity NPD3530 Approved
0.6774 Remote Similarity NPD3531 Approved
0.677 Remote Similarity NPD4109 Clinical (unspecified phase)
0.677 Remote Similarity NPD4110 Phase 3
0.6761 Remote Similarity NPD2325 Approved
0.6758 Remote Similarity NPD2488 Approved
0.6758 Remote Similarity NPD2490 Approved
0.6757 Remote Similarity NPD2668 Approved
0.6757 Remote Similarity NPD5564 Approved
0.6757 Remote Similarity NPD2667 Approved
0.6755 Remote Similarity NPD2972 Approved
0.6755 Remote Similarity NPD2491 Approved
0.6755 Remote Similarity NPD3533 Approved
0.6755 Remote Similarity NPD7258 Clinical (unspecified phase)
0.6755 Remote Similarity NPD3448 Approved
0.6754 Remote Similarity NPD5950 Discontinued
0.6753 Remote Similarity NPD6039 Approved
0.6752 Remote Similarity NPD4579 Clinical (unspecified phase)
0.675 Remote Similarity NPD1372 Clinical (unspecified phase)
0.6747 Remote Similarity NPD7458 Discontinued
0.6736 Remote Similarity NPD5283 Phase 1
0.6736 Remote Similarity NPD683 Approved
0.673 Remote Similarity NPD4477 Approved
0.673 Remote Similarity NPD4476 Approved
0.6728 Remote Similarity NPD5241 Discontinued
0.6726 Remote Similarity NPD7317 Phase 3
0.6725 Remote Similarity NPD919 Approved
0.6723 Remote Similarity NPD6297 Approved
0.6722 Remote Similarity NPD6990 Approved
0.6722 Remote Similarity NPD6989 Approved
0.6709 Remote Similarity NPD5689 Approved
0.6709 Remote Similarity NPD5688 Approved
0.6709 Remote Similarity NPD2567 Approved
0.6709 Remote Similarity NPD2569 Approved
0.6708 Remote Similarity NPD3060 Approved
0.6708 Remote Similarity NPD4162 Approved
0.6708 Remote Similarity NPD2976 Clinical (unspecified phase)
0.6707 Remote Similarity NPD1424 Approved
0.6705 Remote Similarity NPD4166 Phase 2
0.6705 Remote Similarity NPD3050 Clinical (unspecified phase)
0.6705 Remote Similarity NPD5710 Approved
0.6705 Remote Similarity NPD5711 Approved
0.6705 Remote Similarity NPD5186 Approved
0.6705 Remote Similarity NPD5183 Approved
0.6705 Remote Similarity NPD7054 Approved
0.6689 Remote Similarity NPD1651 Approved
0.6689 Remote Similarity NPD6382 Discontinued
0.6688 Remote Similarity NPD2614 Approved
0.6687 Remote Similarity NPD7124 Phase 2
0.6686 Remote Similarity NPD5563 Clinical (unspecified phase)
0.6686 Remote Similarity NPD2801 Approved
0.6685 Remote Similarity NPD4084 Clinical (unspecified phase)
0.6685 Remote Similarity NPD7685 Pre-registration
0.6667 Remote Similarity NPD3926 Phase 2
0.6667 Remote Similarity NPD3647 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2974 Approved
0.6667 Remote Similarity NPD7074 Phase 3
0.6667 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2973 Approved
0.6667 Remote Similarity NPD2674 Phase 3
0.6667 Remote Similarity NPD7472 Approved
0.6667 Remote Similarity NPD2975 Approved
0.6667 Remote Similarity NPD5441 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3885 Approved
0.6649 Remote Similarity NPD3473 Clinical (unspecified phase)
0.6648 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6648 Remote Similarity NPD7177 Discontinued
0.6647 Remote Similarity NPD4017 Approved
0.6647 Remote Similarity NPD3817 Phase 2

Structure

External Identifiers

PubChem CID   147354
ChEMBL   CHEMBL1606959
ZINC  

Physicochemical Properties

Molecular Weight:  261.14
ALogP:  -1.3477
MLogP:  2.67
XLogP:  1.884
# Rotatable Bonds:  4
Polar Surface Area:  38.77
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  19

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Biological Activities  
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