Natural Product: NPC266116

Natural Product ID:  NPC266116
Common Name:   3-Hydroxycoumarin
IUPAC Name:   3-hydroxychromen-2-one
Synonyms:   3-Hydroxycoumarin
Molecular Formula:   C9H6O3
Standard InCHIKey:  MJKVTPMWOKAVMS-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H
Canonical SMILES:  O=c1oc2ccccc2cc1O
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
NPO12323 Bos taurus Species Bovidae Eukaryota HerDing*
NPO28265 Morus alba Species Moraceae Eukaryota TCM_Taiwan*
NPO28265 Morus alba Species Moraceae Eukaryota HerDing*
NPO30941 Holarrhena antidysenterica Species Apocynaceae Eukaryota HerDing*
NPO16501 Capsicum annuum Species Solanaceae Eukaryota TM-MC*
NPO28265 Morus alba Species Moraceae Eukaryota TCMID*
NPO12323 Bos taurus Species Bovidae Eukaryota TCMID*
NPO17393 Bubalus bubalis Species Bovidae Eukaryota TCMID*
NPO765 Holarrhena pubescens Species Apocynaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT440 Individual Protein Quinone oxidoreductase Mus musculus CD = 1.5 nM 9857096
NPT967 Individual Protein Xanthine dehydrogenase Homo sapiens IC50 = 131000 nM 17316915
NPT466 Cell Line U-937 Homo sapiens Activity = 5.3 % 18060791
NPT466 Cell Line U-937 Homo sapiens CC50 > 2000000 nM 18060791
NPT466 Cell Line U-937 Homo sapiens IC50 > 2000000 nM 18060791
NPT41 Individual Protein Aldose reductase Homo sapiens IC50 = 62000 nM 20805028
NPT2 Others Unspecified IC50 = 172000 nM 20805028
NPT1551 Individual Protein Sorbitol dehydrogenase Homo sapiens IC50 = 106000 nM 20805028
NPT2 Others Unspecified Ratio IC50 = 0.62 20805028
NPT2 Others Unspecified Ratio IC50 = 0.35 20805028
NPT151 Individual Protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 17782.8 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 35300 nM 21053896
NPT2 Others Unspecified Inhibition = 0 % 21053896
NPT185 Organism Aspergillus flavus Aspergillus flavus MIC = 128 ug/ml 23306152
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus MIC = 64 ug/ml 23306152
NPT645 Individual Protein D-amino-acid oxidase Homo sapiens Ki = 156 nM 23391306
NPT2 Others Unspecified Ki = 3690 nM 23391306
NPT2 Others Unspecified Ki = 265 nM 23391306
NPT646 Individual Protein Serine racemase Homo sapiens IC50 > 10000000 nM 23391306
NPT647 Individual Protein D-aspartate oxidase Homo sapiens IC50 = 7579000 nM 23391306
NPT645 Individual Protein D-amino-acid oxidase Homo sapiens IC50 = 943 nM 23391306
NPT645 Individual Protein D-amino-acid oxidase Homo sapiens IC50 = 440 nM 23391306
NPT645 Individual Protein D-amino-acid oxidase Homo sapiens Kd = 6300 nM 23631755
NPT645 Individual Protein D-amino-acid oxidase Homo sapiens IC50 = 34.67 nM 23631755
NPT645 Individual Protein D-amino-acid oxidase Homo sapiens Ki = 13 nM 23631755
NPT645 Individual Protein D-amino-acid oxidase Homo sapiens Kd = 4000 nM 23631755
NPT645 Individual Protein D-amino-acid oxidase Homo sapiens Kd = 5600 nM 23631755
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 126.85 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 116.73 % 23571415
NPT2 Others Unspecified LC50 > 100000 nM 25205194
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens FC = 0.94 26519930
NPT2 Others Unspecified EC50 = 65800 nM 26519930

  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 NPC266116 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
0.9327 High Similarity NPC139891
0.9074 High Similarity NPC141068
0.887 High Similarity NPC307253
0.8807 High Similarity NPC149545
0.8761 High Similarity NPC163398
0.8611 High Similarity NPC227255
0.8596 High Similarity NPC33717
0.8584 High Similarity NPC87563
0.8462 Intermediate Similarity NPC247553
0.8462 Intermediate Similarity NPC14177
0.8435 Intermediate Similarity NPC128633
0.839 Intermediate Similarity NPC302107
0.8362 Intermediate Similarity NPC183154
0.8362 Intermediate Similarity NPC263754
0.8305 Intermediate Similarity NPC31314
0.8305 Intermediate Similarity NPC474874
0.8305 Intermediate Similarity NPC193193
0.8291 Intermediate Similarity NPC265547
0.8291 Intermediate Similarity NPC152306
0.8273 Intermediate Similarity NPC128730
0.8241 Intermediate Similarity NPC107101
0.8235 Intermediate Similarity NPC319378
0.822 Intermediate Similarity NPC281356
0.822 Intermediate Similarity NPC298796
0.8198 Intermediate Similarity NPC176971
0.8197 Intermediate Similarity NPC88403
0.8182 Intermediate Similarity NPC109637
0.8182 Intermediate Similarity NPC2518
0.8175 Intermediate Similarity NPC281558
0.8167 Intermediate Similarity NPC52247
0.8165 Intermediate Similarity NPC307425
0.8158 Intermediate Similarity NPC233238
0.8148 Intermediate Similarity NPC132725
0.8136 Intermediate Similarity NPC124916
0.8136 Intermediate Similarity NPC96705
0.8125 Intermediate Similarity NPC151530
0.8125 Intermediate Similarity NPC194034
0.8125 Intermediate Similarity NPC157473
0.8108 Intermediate Similarity NPC288760
0.8095 Intermediate Similarity NPC29734
0.8095 Intermediate Similarity NPC73738
0.8091 Intermediate Similarity NPC179686
0.8087 Intermediate Similarity NPC199462
0.8083 Intermediate Similarity NPC163200
0.8083 Intermediate Similarity NPC235190
0.8083 Intermediate Similarity NPC180006
0.8067 Intermediate Similarity NPC264976
0.8049 Intermediate Similarity NPC93219
0.8049 Intermediate Similarity NPC244495
0.8047 Intermediate Similarity NPC473054
0.8018 Intermediate Similarity NPC283546
0.8017 Intermediate Similarity NPC90903
0.8017 Intermediate Similarity NPC187868
0.8016 Intermediate Similarity NPC113098
0.8 Intermediate Similarity NPC146540
0.8 Intermediate Similarity NPC84325
0.7969 Intermediate Similarity NPC469449
0.7967 Intermediate Similarity NPC89630
0.7967 Intermediate Similarity NPC229113
0.7953 Intermediate Similarity NPC267336
0.7953 Intermediate Similarity NPC272650
0.7951 Intermediate Similarity NPC248429
0.7951 Intermediate Similarity NPC13007
0.7951 Intermediate Similarity NPC257188
0.7951 Intermediate Similarity NPC311219
0.7951 Intermediate Similarity NPC96286
0.7946 Intermediate Similarity NPC473855
0.7946 Intermediate Similarity NPC473393
0.7931 Intermediate Similarity NPC280760
0.792 Intermediate Similarity NPC473993
0.792 Intermediate Similarity NPC121740
0.792 Intermediate Similarity NPC258567
0.792 Intermediate Similarity NPC243688
0.792 Intermediate Similarity NPC224774
0.7917 Intermediate Similarity NPC98748
0.7917 Intermediate Similarity NPC37858
0.7913 Intermediate Similarity NPC473809
0.7907 Intermediate Similarity NPC253574
0.7907 Intermediate Similarity NPC98179
0.7907 Intermediate Similarity NPC92830
0.7903 Intermediate Similarity NPC168259
0.7895 Intermediate Similarity NPC291837
0.7891 Intermediate Similarity NPC137949
0.7886 Intermediate Similarity NPC109675
0.7886 Intermediate Similarity NPC93730
0.7886 Intermediate Similarity NPC273772
0.7886 Intermediate Similarity NPC472518
0.7886 Intermediate Similarity NPC248786
0.7876 Intermediate Similarity NPC326447
0.787 Intermediate Similarity NPC246679
0.7869 Intermediate Similarity NPC144418
0.7863 Intermediate Similarity NPC303522
0.7857 Intermediate Similarity NPC469453
0.7857 Intermediate Similarity NPC185066
0.7851 Intermediate Similarity NPC230951
0.7851 Intermediate Similarity NPC2058
0.7846 Intermediate Similarity NPC33986
0.7845 Intermediate Similarity NPC245552
0.7833 Intermediate Similarity NPC101503
0.7833 Intermediate Similarity NPC152159
0.7826 Intermediate Similarity NPC259554
0.7823 Intermediate Similarity NPC27671
0.7823 Intermediate Similarity NPC111347
0.7823 Intermediate Similarity NPC73413
0.7823 Intermediate Similarity NPC201667
0.7815 Intermediate Similarity NPC154256
0.7815 Intermediate Similarity NPC290470
0.7805 Intermediate Similarity NPC151237
0.7805 Intermediate Similarity NPC27198
0.7797 Intermediate Similarity NPC294941
0.7797 Intermediate Similarity NPC235250
0.7795 Intermediate Similarity NPC474289
0.7795 Intermediate Similarity NPC238309
0.7788 Intermediate Similarity NPC127676
0.7788 Intermediate Similarity NPC17537
0.7787 Intermediate Similarity NPC322569
0.7786 Intermediate Similarity NPC224543
0.7786 Intermediate Similarity NPC26954
0.7786 Intermediate Similarity NPC103409
0.7786 Intermediate Similarity NPC188380
0.7786 Intermediate Similarity NPC78746
0.7786 Intermediate Similarity NPC38099
0.7778 Intermediate Similarity NPC142087
0.7778 Intermediate Similarity NPC95034
0.7769 Intermediate Similarity NPC326600
0.7769 Intermediate Similarity NPC62366
0.7769 Intermediate Similarity NPC50896
0.7769 Intermediate Similarity NPC204353
0.7759 Intermediate Similarity NPC25067
0.7759 Intermediate Similarity NPC88868
0.7759 Intermediate Similarity NPC231251
0.775 Intermediate Similarity NPC45104
0.7742 Intermediate Similarity NPC290605
0.7742 Intermediate Similarity NPC315807
0.7742 Intermediate Similarity NPC154176
0.7742 Intermediate Similarity NPC173350
0.7739 Intermediate Similarity NPC206341
0.7734 Intermediate Similarity NPC244799
0.7734 Intermediate Similarity NPC19242
0.7734 Intermediate Similarity NPC240722
0.7731 Intermediate Similarity NPC51345
0.7731 Intermediate Similarity NPC296526
0.7727 Intermediate Similarity NPC471068
0.7727 Intermediate Similarity NPC155963
0.7727 Intermediate Similarity NPC212124
0.7727 Intermediate Similarity NPC52086
0.7727 Intermediate Similarity NPC76336
0.7727 Intermediate Similarity NPC281014
0.7727 Intermediate Similarity NPC471069
0.7727 Intermediate Similarity NPC184861
0.7727 Intermediate Similarity NPC95755
0.7727 Intermediate Similarity NPC20511
0.7727 Intermediate Similarity NPC294456
0.7727 Intermediate Similarity NPC95162
0.7727 Intermediate Similarity NPC153818
0.7727 Intermediate Similarity NPC225106
0.7727 Intermediate Similarity NPC175298
0.7727 Intermediate Similarity NPC139548
0.7727 Intermediate Similarity NPC232246
0.7727 Intermediate Similarity NPC148835
0.7724 Intermediate Similarity NPC476165
0.7717 Intermediate Similarity NPC81261
0.7717 Intermediate Similarity NPC2401
0.771 Intermediate Similarity NPC472525
0.7705 Intermediate Similarity NPC202474
0.7698 Intermediate Similarity NPC329272
0.7698 Intermediate Similarity NPC188327
0.7698 Intermediate Similarity NPC234109
0.7686 Intermediate Similarity NPC32298
0.7686 Intermediate Similarity NPC272471
0.7686 Intermediate Similarity NPC107588
0.7686 Intermediate Similarity NPC137537
0.7686 Intermediate Similarity NPC164706
0.7686 Intermediate Similarity NPC70744
0.7686 Intermediate Similarity NPC212743
0.768 Intermediate Similarity NPC470008
0.768 Intermediate Similarity NPC107846
0.768 Intermediate Similarity NPC291899
0.7669 Intermediate Similarity NPC13067
0.7669 Intermediate Similarity NPC151946
0.7669 Intermediate Similarity NPC471070
0.7669 Intermediate Similarity NPC471071
0.7669 Intermediate Similarity NPC471072
0.7667 Intermediate Similarity NPC470860
0.7656 Intermediate Similarity NPC123127
0.7656 Intermediate Similarity NPC27239
0.7656 Intermediate Similarity NPC168710
0.7652 Intermediate Similarity NPC126682
0.7652 Intermediate Similarity NPC82271
0.7647 Intermediate Similarity NPC114144
0.7647 Intermediate Similarity NPC185127
0.7642 Intermediate Similarity NPC204466
0.7634 Intermediate Similarity NPC213173
0.7634 Intermediate Similarity NPC224475
0.7634 Intermediate Similarity NPC180716
0.7632 Intermediate Similarity NPC238115
0.7627 Intermediate Similarity NPC131530
0.7627 Intermediate Similarity NPC474920
0.7623 Intermediate Similarity NPC54243
0.7619 Intermediate Similarity NPC471827

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC266116 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
0.9327 High Similarity NPD9697 Approved
0.8167 Intermediate Similarity NPD422 Phase 1
0.8125 Intermediate Similarity NPD1358 Approved
0.8125 Intermediate Similarity NPD290 Approved
0.7967 Intermediate Similarity NPD3225 Approved
0.7951 Intermediate Similarity NPD9717 Approved
0.7903 Intermediate Similarity NPD2797 Approved
0.7903 Intermediate Similarity NPD1203 Approved
0.7876 Intermediate Similarity NPD3134 Approved
0.7787 Intermediate Similarity NPD3496 Discontinued
0.7778 Intermediate Similarity NPD5535 Approved
0.7739 Intermediate Similarity NPD2684 Approved
0.7734 Intermediate Similarity NPD6798 Discontinued
0.7692 Intermediate Similarity NPD4340 Discontinued
0.7619 Intermediate Similarity NPD3266 Approved
0.7619 Intermediate Similarity NPD987 Approved
0.7619 Intermediate Similarity NPD3267 Approved
0.7615 Intermediate Similarity NPD4060 Phase 1
0.7597 Intermediate Similarity NPD3268 Approved
0.7565 Intermediate Similarity NPD968 Approved
0.7563 Intermediate Similarity NPD1241 Discontinued
0.7561 Intermediate Similarity NPD1778 Approved
0.7557 Intermediate Similarity NPD6355 Discontinued
0.7557 Intermediate Similarity NPD447 Suspended
0.7519 Intermediate Similarity NPD7095 Approved
0.75 Intermediate Similarity NPD9365 Approved
0.7479 Intermediate Similarity NPD7843 Approved
0.7462 Intermediate Similarity NPD2313 Discontinued
0.7462 Intermediate Similarity NPD411 Approved
0.7462 Intermediate Similarity NPD1048 Approved
0.7442 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD6832 Phase 2
0.744 Intermediate Similarity NPD1091 Approved
0.744 Intermediate Similarity NPD1611 Approved
0.7426 Intermediate Similarity NPD1652 Phase 2
0.7422 Intermediate Similarity NPD1019 Discontinued
0.7419 Intermediate Similarity NPD4626 Approved
0.741 Intermediate Similarity NPD5401 Approved
0.7405 Intermediate Similarity NPD6233 Phase 2
0.7405 Intermediate Similarity NPD4062 Phase 3
0.7398 Intermediate Similarity NPD1894 Discontinued
0.7388 Intermediate Similarity NPD4308 Phase 3
0.7348 Intermediate Similarity NPD4307 Phase 2
0.7339 Intermediate Similarity NPD5691 Approved
0.7338 Intermediate Similarity NPD6799 Approved
0.7328 Intermediate Similarity NPD1296 Phase 2
0.7305 Intermediate Similarity NPD5403 Approved
0.7302 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7302 Intermediate Similarity NPD1535 Discovery
0.7295 Intermediate Similarity NPD6671 Approved
0.7295 Intermediate Similarity NPD7157 Approved
0.7293 Intermediate Similarity NPD1933 Approved
0.7279 Intermediate Similarity NPD5763 Approved
0.7279 Intermediate Similarity NPD5762 Approved
0.7258 Intermediate Similarity NPD1548 Phase 1
0.7244 Intermediate Similarity NPD1608 Approved
0.7244 Intermediate Similarity NPD1481 Phase 2
0.7236 Intermediate Similarity NPD9493 Approved
0.7213 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD5585 Approved
0.7194 Intermediate Similarity NPD2354 Approved
0.7164 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7164 Intermediate Similarity NPD9694 Discovery
0.7154 Intermediate Similarity NPD2798 Approved
0.7143 Intermediate Similarity NPD17 Approved
0.7143 Intermediate Similarity NPD5846 Approved
0.7143 Intermediate Similarity NPD6516 Phase 2
0.7133 Intermediate Similarity NPD1653 Approved
0.7132 Intermediate Similarity NPD2799 Discontinued
0.7113 Intermediate Similarity NPD5049 Phase 3
0.7107 Intermediate Similarity NPD228 Approved
0.7107 Intermediate Similarity NPD969 Suspended
0.708 Intermediate Similarity NPD1551 Phase 2
0.708 Intermediate Similarity NPD1501 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD9267 Approved
0.7059 Intermediate Similarity NPD9264 Approved
0.7059 Intermediate Similarity NPD9263 Approved
0.7054 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD769 Approved
0.7049 Intermediate Similarity NPD821 Approved
0.7045 Intermediate Similarity NPD2614 Approved
0.704 Intermediate Similarity NPD5536 Phase 2
0.7037 Intermediate Similarity NPD5124 Phase 1
0.7037 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD6599 Discontinued
0.7029 Intermediate Similarity NPD2353 Approved
0.7029 Intermediate Similarity NPD2355 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD709 Approved
0.7009 Intermediate Similarity NPD9261 Approved
0.7007 Intermediate Similarity NPD3748 Approved
0.7 Intermediate Similarity NPD74 Approved
0.7 Intermediate Similarity NPD4628 Phase 3
0.7 Intermediate Similarity NPD9266 Approved
0.7 Intermediate Similarity NPD3750 Approved
0.6984 Remote Similarity NPD9545 Approved
0.6978 Remote Similarity NPD5958 Discontinued
0.6978 Remote Similarity NPD4534 Discontinued
0.6959 Remote Similarity NPD5402 Approved
0.6957 Remote Similarity NPD6032 Approved
0.6953 Remote Similarity NPD3847 Discontinued
0.6947 Remote Similarity NPD1794 Approved
0.6939 Remote Similarity NPD6801 Discontinued
0.6934 Remote Similarity NPD7097 Phase 1
0.6929 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4359 Approved
0.6923 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6923 Remote Similarity NPD291 Approved
0.6917 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6912 Remote Similarity NPD1184 Approved
0.6906 Remote Similarity NPD2346 Discontinued
0.6906 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6899 Remote Similarity NPD1610 Phase 2
0.6894 Remote Similarity NPD5647 Approved
0.6892 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6884 Remote Similarity NPD7033 Discontinued
0.688 Remote Similarity NPD2557 Approved
0.687 Remote Similarity NPD8651 Approved
0.6866 Remote Similarity NPD5163 Phase 2
0.6861 Remote Similarity NPD6653 Approved
0.6857 Remote Similarity NPD2030 Discontinued
0.6857 Remote Similarity NPD2424 Discontinued
0.6857 Remote Similarity NPD2897 Discontinued
0.6846 Remote Similarity NPD3817 Phase 2
0.6842 Remote Similarity NPD2237 Approved
0.6842 Remote Similarity NPD454 Approved
0.6842 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6838 Remote Similarity NPD4140 Approved
0.6831 Remote Similarity NPD3887 Approved
0.6818 Remote Similarity NPD1282 Approved
0.6809 Remote Similarity NPD1243 Approved
0.6807 Remote Similarity NPD9501 Approved
0.6783 Remote Similarity NPD643 Clinical (unspecified phase)
0.6777 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6774 Remote Similarity NPD1138 Approved
0.6772 Remote Similarity NPD7644 Approved
0.6761 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6759 Remote Similarity NPD1512 Approved
0.6755 Remote Similarity NPD7075 Discontinued
0.6752 Remote Similarity NPD1238 Approved
0.6744 Remote Similarity NPD2423 Clinical (unspecified phase)
0.6742 Remote Similarity NPD1283 Approved
0.672 Remote Similarity NPD5283 Phase 1
0.672 Remote Similarity NPD592 Approved
0.672 Remote Similarity NPD594 Approved
0.6719 Remote Similarity NPD2486 Discontinued
0.6719 Remote Similarity NPD1182 Approved
0.6716 Remote Similarity NPD9494 Approved
0.6715 Remote Similarity NPD3597 Clinical (unspecified phase)
0.6715 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6715 Remote Similarity NPD1613 Approved
0.6714 Remote Similarity NPD2935 Discontinued
0.6714 Remote Similarity NPD4477 Approved
0.6714 Remote Similarity NPD4476 Approved
0.6714 Remote Similarity NPD2240 Approved
0.6714 Remote Similarity NPD2239 Approved
0.6696 Remote Similarity NPD9296 Approved
0.6694 Remote Similarity NPD1139 Approved
0.6694 Remote Similarity NPD1137 Approved
0.6692 Remote Similarity NPD1820 Approved
0.6692 Remote Similarity NPD6362 Approved
0.6692 Remote Similarity NPD1817 Approved
0.6692 Remote Similarity NPD1819 Approved
0.6692 Remote Similarity NPD1818 Approved
0.6691 Remote Similarity NPD7985 Registered
0.669 Remote Similarity NPD1578 Phase 2
0.669 Remote Similarity NPD4662 Approved
0.669 Remote Similarity NPD3536 Discontinued
0.669 Remote Similarity NPD4661 Approved
0.669 Remote Similarity NPD642 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4618 Approved
0.6667 Remote Similarity NPD4749 Approved
0.6667 Remote Similarity NPD3444 Approved
0.6667 Remote Similarity NPD9281 Approved
0.6667 Remote Similarity NPD3656 Approved
0.6667 Remote Similarity NPD556 Approved
0.6667 Remote Similarity NPD3049 Approved
0.6667 Remote Similarity NPD5451 Approved
0.6667 Remote Similarity NPD2344 Approved
0.6667 Remote Similarity NPD4622 Approved
0.6667 Remote Similarity NPD3443 Approved
0.6667 Remote Similarity NPD3445 Approved
0.6644 Remote Similarity NPD958 Approved
0.6643 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6643 Remote Similarity NPD7835 Discontinued
0.6642 Remote Similarity NPD3163 Approved
0.6642 Remote Similarity NPD5745 Approved
0.6642 Remote Similarity NPD3162 Approved
0.6642 Remote Similarity NPD8032 Phase 2
0.6641 Remote Similarity NPD1281 Approved
0.6641 Remote Similarity NPD776 Approved
0.6639 Remote Similarity NPD9552 Approved
0.6622 Remote Similarity NPD3226 Approved
0.6621 Remote Similarity NPD1511 Approved
0.662 Remote Similarity NPD970 Clinical (unspecified phase)
0.662 Remote Similarity NPD1549 Phase 2
0.6619 Remote Similarity NPD2653 Approved
0.6618 Remote Similarity NPD2598 Clinical (unspecified phase)
0.6617 Remote Similarity NPD196 Phase 1
0.6615 Remote Similarity NPD2554 Approved

Structure

External Identifiers

PubChem CID   13650
ChEMBL   CHEMBL150372
ZINC  

Physicochemical Properties

Molecular Weight:  162.03
ALogP:  -0.1864
MLogP:  2.12
XLogP:  3.054
# Rotatable Bonds:  1
Polar Surface Area:  46.53
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  12

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