Natural Product: NPC163398

Natural Product ID:  NPC163398
Common Name:   6-Hydroxycoumarin
IUPAC Name:   6-hydroxychromen-2-one
Synonyms:   6-Hydroxycoumarin
Molecular Formula:   C9H6O3
Standard InCHIKey:  CJIJXIFQYOPWTF-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C9H6O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5,10H
Canonical SMILES:  Oc1ccc2c(c1)ccc(=O)o2
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
NPO28265 Morus alba Species Moraceae Eukaryota TCM_Taiwan*
NPO28265 Morus alba Species Moraceae Eukaryota HerDing*
NPO14774 Cymbopogon schoenanthus Species Poaceae Eukaryota UNPD*
NPO18980 Haldina cordifolia Species Rubiaceae Eukaryota UNPD*
NPO26649 Colchicum decaisnei Species Colchicaceae Eukaryota UNPD*
NPO9121 Mori follum NA NA NA TCMSP*
NPO24892 Cortex moutan NA NA NA TCMSP*
NPO28265 Morus alba Species Moraceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT41 Individual Protein Aldose reductase Homo sapiens IC50 = 171000 nM 20805028
NPT2 Others Unspecified IC50 = 156000 nM 20805028
NPT1551 Individual Protein Sorbitol dehydrogenase Homo sapiens IC50 > 400000 nM 20805028
NPT2 Others Unspecified Ratio IC50 > 2.56 20805028
NPT2 Others Unspecified Ratio IC50 = 1.1 20805028
NPT2 Others Unspecified Inhibition < 20 % 21053896
NPT185 Organism Aspergillus flavus Aspergillus flavus MIC >= 2048 ug/ml 23306152
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus MIC >= 2048 ug/ml 23306152
NPT2 Others Unspecified IC50 = 46200 nM 25088398
NPT407 Cell Line COLO 205 Homo sapiens IC50 = 38700 nM 25088398
NPT2 Others Unspecified IC50 = 35000 nM 25088398
NPT2 Others Unspecified LC50 > 100000 nM 25205194
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens FC = 0.99 26519930
NPT2 Others Unspecified EC50 > 400000 nM 26519930
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki > 100000 nM 26688270
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki > 100000 nM 26688270
NPT948 Individual Protein Carbonic anhydrase IX Homo sapiens Ki = 190 nM 26688270
NPT949 Individual Protein Carbonic anhydrase XII Homo sapiens Ki = 680 nM 26688270

  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 NPC163398 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
0.9643 High Similarity NPC14177
0.9279 High Similarity NPC87563
0.9091 High Similarity NPC141068
0.9052 High Similarity NPC307253
0.8983 High Similarity NPC248786
0.8981 High Similarity NPC139891
0.8843 High Similarity NPC142087
0.8843 High Similarity NPC95034
0.8814 High Similarity NPC476165
0.877 High Similarity NPC81261
0.8761 High Similarity NPC266116
0.8761 High Similarity NPC474920
0.8644 High Similarity NPC247553
0.864 High Similarity NPC137949
0.8621 High Similarity NPC33717
0.8583 High Similarity NPC302211
0.8571 High Similarity NPC302107
0.8545 High Similarity NPC93831
0.8534 High Similarity NPC473718
0.8496 Intermediate Similarity NPC149545
0.8492 Intermediate Similarity NPC317601
0.8492 Intermediate Similarity NPC329427
0.8468 Intermediate Similarity NPC288760
0.8468 Intermediate Similarity NPC227255
0.8462 Intermediate Similarity NPC290470
0.8462 Intermediate Similarity NPC154256
0.8376 Intermediate Similarity NPC301321
0.8372 Intermediate Similarity NPC115861
0.8347 Intermediate Similarity NPC52247
0.8333 Intermediate Similarity NPC474874
0.8333 Intermediate Similarity NPC193193
0.8333 Intermediate Similarity NPC31314
0.832 Intermediate Similarity NPC176590
0.8319 Intermediate Similarity NPC233320
0.8308 Intermediate Similarity NPC148835
0.8308 Intermediate Similarity NPC20511
0.8308 Intermediate Similarity NPC95162
0.8308 Intermediate Similarity NPC76336
0.8308 Intermediate Similarity NPC139548
0.8308 Intermediate Similarity NPC52086
0.8293 Intermediate Similarity NPC474237
0.8293 Intermediate Similarity NPC147896
0.8281 Intermediate Similarity NPC277021
0.8268 Intermediate Similarity NPC73738
0.825 Intermediate Similarity NPC471449
0.825 Intermediate Similarity NPC98748
0.8244 Intermediate Similarity NPC13067
0.8235 Intermediate Similarity NPC183154
0.8235 Intermediate Similarity NPC263754
0.8231 Intermediate Similarity NPC126682
0.8231 Intermediate Similarity NPC82271
0.8226 Intermediate Similarity NPC93219
0.8226 Intermediate Similarity NPC244495
0.8198 Intermediate Similarity NPC94343
0.8197 Intermediate Similarity NPC187868
0.8189 Intermediate Similarity NPC7569
0.8182 Intermediate Similarity NPC307039
0.8168 Intermediate Similarity NPC38874
0.8167 Intermediate Similarity NPC124916
0.8154 Intermediate Similarity NPC161856
0.8154 Intermediate Similarity NPC281169
0.8154 Intermediate Similarity NPC291119
0.8154 Intermediate Similarity NPC51087
0.8151 Intermediate Similarity NPC69539
0.8151 Intermediate Similarity NPC128633
0.8145 Intermediate Similarity NPC190086
0.8145 Intermediate Similarity NPC276962
0.8136 Intermediate Similarity NPC41851
0.813 Intermediate Similarity NPC46634
0.812 Intermediate Similarity NPC280760
0.8115 Intermediate Similarity NPC322569
0.8106 Intermediate Similarity NPC164148
0.8106 Intermediate Similarity NPC43500
0.8099 Intermediate Similarity NPC51341
0.8095 Intermediate Similarity NPC71525
0.8095 Intermediate Similarity NPC243688
0.8087 Intermediate Similarity NPC241549
0.8083 Intermediate Similarity NPC238176
0.8083 Intermediate Similarity NPC240664
0.8083 Intermediate Similarity NPC187993
0.808 Intermediate Similarity NPC168259
0.8077 Intermediate Similarity NPC92830
0.8073 Intermediate Similarity NPC246679
0.8073 Intermediate Similarity NPC257182
0.8062 Intermediate Similarity NPC194277
0.8053 Intermediate Similarity NPC2518
0.8047 Intermediate Similarity NPC240722
0.8047 Intermediate Similarity NPC278787
0.8047 Intermediate Similarity NPC244799
0.8034 Intermediate Similarity NPC228609
0.8034 Intermediate Similarity NPC275627
0.8033 Intermediate Similarity NPC2058
0.8031 Intermediate Similarity NPC201419
0.8017 Intermediate Similarity NPC152306
0.8017 Intermediate Similarity NPC283616
0.8017 Intermediate Similarity NPC265547
0.8 Intermediate Similarity NPC26673
0.8 Intermediate Similarity NPC236419
0.8 Intermediate Similarity NPC163557
0.8 Intermediate Similarity NPC229113
0.7984 Intermediate Similarity NPC477151
0.7984 Intermediate Similarity NPC132518
0.7984 Intermediate Similarity NPC473464
0.7984 Intermediate Similarity NPC142530
0.7984 Intermediate Similarity NPC141549
0.7984 Intermediate Similarity NPC311219
0.7984 Intermediate Similarity NPC476332
0.7982 Intermediate Similarity NPC128730
0.7982 Intermediate Similarity NPC127676
0.7969 Intermediate Similarity NPC271832
0.7969 Intermediate Similarity NPC123127
0.7969 Intermediate Similarity NPC27239
0.7969 Intermediate Similarity NPC474289
0.7967 Intermediate Similarity NPC473875
0.7967 Intermediate Similarity NPC319378
0.7966 Intermediate Similarity NPC131530
0.7966 Intermediate Similarity NPC199462
0.7953 Intermediate Similarity NPC224774
0.7953 Intermediate Similarity NPC121740
0.7953 Intermediate Similarity NPC258567
0.7951 Intermediate Similarity NPC281356
0.7951 Intermediate Similarity NPC32152
0.7951 Intermediate Similarity NPC298796
0.7951 Intermediate Similarity NPC264976
0.7951 Intermediate Similarity NPC37858
0.7946 Intermediate Similarity NPC107101
0.7941 Intermediate Similarity NPC185127
0.7939 Intermediate Similarity NPC473054
0.7931 Intermediate Similarity NPC169450
0.7931 Intermediate Similarity NPC206341
0.7923 Intermediate Similarity NPC137669
0.792 Intermediate Similarity NPC477152
0.7917 Intermediate Similarity NPC296526
0.7913 Intermediate Similarity NPC176971
0.7907 Intermediate Similarity NPC196621
0.7895 Intermediate Similarity NPC130817
0.7895 Intermediate Similarity NPC109637
0.7895 Intermediate Similarity NPC476171
0.7891 Intermediate Similarity NPC185066
0.7891 Intermediate Similarity NPC469453
0.7886 Intermediate Similarity NPC232295
0.7886 Intermediate Similarity NPC474131
0.7886 Intermediate Similarity NPC202474
0.7881 Intermediate Similarity NPC233238
0.7876 Intermediate Similarity NPC307425
0.7869 Intermediate Similarity NPC96705
0.7869 Intermediate Similarity NPC137537
0.7869 Intermediate Similarity NPC212743
0.7869 Intermediate Similarity NPC272471
0.7869 Intermediate Similarity NPC107588
0.7869 Intermediate Similarity NPC164706
0.7869 Intermediate Similarity NPC70744
0.7868 Intermediate Similarity NPC91492
0.7868 Intermediate Similarity NPC230157
0.7868 Intermediate Similarity NPC110067
0.7868 Intermediate Similarity NPC256555
0.7868 Intermediate Similarity NPC7439
0.7868 Intermediate Similarity NPC34245
0.7863 Intermediate Similarity NPC474810
0.7863 Intermediate Similarity NPC241341
0.7863 Intermediate Similarity NPC31849
0.7863 Intermediate Similarity NPC36437
0.7863 Intermediate Similarity NPC233018
0.7857 Intermediate Similarity NPC89630
0.7857 Intermediate Similarity NPC140521
0.7857 Intermediate Similarity NPC4012
0.7852 Intermediate Similarity NPC300611
0.7846 Intermediate Similarity NPC147317
0.7845 Intermediate Similarity NPC151530
0.7845 Intermediate Similarity NPC157473
0.7833 Intermediate Similarity NPC81808
0.7833 Intermediate Similarity NPC235250
0.7833 Intermediate Similarity NPC197513
0.7833 Intermediate Similarity NPC294941
0.7829 Intermediate Similarity NPC59654
0.7829 Intermediate Similarity NPC238309
0.7823 Intermediate Similarity NPC163200
0.7823 Intermediate Similarity NPC180006
0.7823 Intermediate Similarity NPC475529
0.7823 Intermediate Similarity NPC204466
0.7823 Intermediate Similarity NPC45663
0.7823 Intermediate Similarity NPC235190
0.782 Intermediate Similarity NPC472881
0.7815 Intermediate Similarity NPC98372
0.7815 Intermediate Similarity NPC26615
0.7812 Intermediate Similarity NPC473993
0.7807 Intermediate Similarity NPC179686
0.7807 Intermediate Similarity NPC304638
0.7805 Intermediate Similarity NPC85895
0.7805 Intermediate Similarity NPC137294
0.7803 Intermediate Similarity NPC7163
0.7803 Intermediate Similarity NPC204353
0.7803 Intermediate Similarity NPC309953
0.7803 Intermediate Similarity NPC50896
0.7803 Intermediate Similarity NPC326600
0.7795 Intermediate Similarity NPC289459
0.7795 Intermediate Similarity NPC249836
0.7794 Intermediate Similarity NPC145319
0.7788 Intermediate Similarity NPC253746
0.7786 Intermediate Similarity NPC281558

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC163398 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
0.8981 High Similarity NPD9697 Approved
0.8571 High Similarity NPD3496 Discontinued
0.8376 Intermediate Similarity NPD6671 Approved
0.8347 Intermediate Similarity NPD422 Phase 1
0.823 Intermediate Similarity NPD968 Approved
0.808 Intermediate Similarity NPD1203 Approved
0.8049 Intermediate Similarity NPD1611 Approved
0.8 Intermediate Similarity NPD3225 Approved
0.7984 Intermediate Similarity NPD9717 Approved
0.7937 Intermediate Similarity NPD2797 Approved
0.7907 Intermediate Similarity NPD411 Approved
0.7903 Intermediate Similarity NPD1535 Discovery
0.7886 Intermediate Similarity NPD1778 Approved
0.7863 Intermediate Similarity NPD447 Suspended
0.784 Intermediate Similarity NPD1481 Phase 2
0.7742 Intermediate Similarity NPD4626 Approved
0.766 Intermediate Similarity NPD1653 Approved
0.7634 Intermediate Similarity NPD3268 Approved
0.7634 Intermediate Similarity NPD2313 Discontinued
0.763 Intermediate Similarity NPD2935 Discontinued
0.7607 Intermediate Similarity NPD3134 Approved
0.7559 Intermediate Similarity NPD1608 Approved
0.7556 Intermediate Similarity NPD4308 Phase 3
0.7542 Intermediate Similarity NPD290 Approved
0.7542 Intermediate Similarity NPD1358 Approved
0.7538 Intermediate Similarity NPD2861 Phase 2
0.7521 Intermediate Similarity NPD5535 Approved
0.752 Intermediate Similarity NPD5691 Approved
0.752 Intermediate Similarity NPD5585 Approved
0.7519 Intermediate Similarity NPD4060 Phase 1
0.7478 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7463 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD1398 Phase 1
0.744 Intermediate Similarity NPD1548 Phase 1
0.7419 Intermediate Similarity NPD9493 Approved
0.7405 Intermediate Similarity NPD2237 Approved
0.7385 Intermediate Similarity NPD3266 Approved
0.7385 Intermediate Similarity NPD3267 Approved
0.7372 Intermediate Similarity NPD1551 Phase 2
0.736 Intermediate Similarity NPD7644 Approved
0.7328 Intermediate Similarity NPD1019 Discontinued
0.7323 Intermediate Similarity NPD17 Approved
0.7319 Intermediate Similarity NPD2346 Discontinued
0.7317 Intermediate Similarity NPD1241 Discontinued
0.7308 Intermediate Similarity NPD6696 Suspended
0.7302 Intermediate Similarity NPD1894 Discontinued
0.7295 Intermediate Similarity NPD228 Approved
0.7286 Intermediate Similarity NPD3750 Approved
0.7286 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.728 Intermediate Similarity NPD7340 Approved
0.7259 Intermediate Similarity NPD4307 Phase 2
0.7231 Intermediate Similarity NPD4359 Approved
0.7231 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7231 Intermediate Similarity NPD4749 Approved
0.7218 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7218 Intermediate Similarity NPD6832 Phase 2
0.7218 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD1091 Approved
0.7209 Intermediate Similarity NPD1610 Phase 2
0.7207 Intermediate Similarity NPD9295 Approved
0.72 Intermediate Similarity NPD709 Approved
0.719 Intermediate Similarity NPD9266 Approved
0.719 Intermediate Similarity NPD74 Approved
0.7174 Intermediate Similarity NPD2799 Discontinued
0.7165 Intermediate Similarity NPD9545 Approved
0.7164 Intermediate Similarity NPD7095 Approved
0.7154 Intermediate Similarity NPD2231 Phase 2
0.7154 Intermediate Similarity NPD2235 Phase 2
0.7143 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD4140 Approved
0.713 Intermediate Similarity NPD844 Approved
0.7123 Intermediate Similarity NPD3226 Approved
0.7122 Intermediate Similarity NPD6032 Approved
0.7111 Intermediate Similarity NPD1296 Phase 2
0.7107 Intermediate Similarity NPD9264 Approved
0.7107 Intermediate Similarity NPD9267 Approved
0.7107 Intermediate Similarity NPD9263 Approved
0.7092 Intermediate Similarity NPD1652 Phase 2
0.709 Intermediate Similarity NPD2614 Approved
0.7083 Intermediate Similarity NPD1578 Phase 2
0.708 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD5124 Phase 1
0.7077 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD288 Approved
0.7068 Intermediate Similarity NPD2798 Approved
0.7059 Intermediate Similarity NPD6233 Phase 2
0.7055 Intermediate Similarity NPD2370 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD2684 Approved
0.7045 Intermediate Similarity NPD1283 Approved
0.7037 Intermediate Similarity NPD4625 Phase 3
0.7031 Intermediate Similarity NPD1182 Approved
0.7029 Intermediate Similarity NPD6653 Approved
0.7014 Intermediate Similarity NPD1511 Approved
0.7008 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD1613 Approved
0.7 Intermediate Similarity NPD1519 Approved
0.7 Intermediate Similarity NPD5402 Approved
0.7 Intermediate Similarity NPD1538 Phase 1
0.7 Intermediate Similarity NPD1537 Approved
0.6992 Remote Similarity NPD987 Approved
0.6985 Remote Similarity NPD6798 Discontinued
0.6985 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6985 Remote Similarity NPD1048 Approved
0.6972 Remote Similarity NPD7421 Clinical (unspecified phase)
0.697 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6967 Remote Similarity NPD9265 Clinical (unspecified phase)
0.696 Remote Similarity NPD821 Approved
0.6957 Remote Similarity NPD4340 Discontinued
0.6957 Remote Similarity NPD6355 Discontinued
0.6957 Remote Similarity NPD9694 Discovery
0.6957 Remote Similarity NPD1184 Approved
0.6953 Remote Similarity NPD5536 Phase 2
0.695 Remote Similarity NPD5762 Approved
0.695 Remote Similarity NPD2344 Approved
0.695 Remote Similarity NPD5763 Approved
0.694 Remote Similarity NPD6584 Phase 3
0.6929 Remote Similarity NPD3748 Approved
0.6929 Remote Similarity NPD7033 Discontinued
0.6923 Remote Similarity NPD2423 Clinical (unspecified phase)
0.6923 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6918 Remote Similarity NPD1512 Approved
0.6894 Remote Similarity NPD2232 Approved
0.6894 Remote Similarity NPD2233 Approved
0.6894 Remote Similarity NPD2230 Approved
0.6892 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6889 Remote Similarity NPD9494 Approved
0.6879 Remote Similarity NPD1522 Approved
0.6879 Remote Similarity NPD1523 Approved
0.687 Remote Similarity NPD3847 Discontinued
0.6861 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6861 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6861 Remote Similarity NPD7985 Registered
0.6857 Remote Similarity NPD1536 Approved
0.6838 Remote Similarity NPD596 Approved
0.6838 Remote Similarity NPD4908 Phase 1
0.6838 Remote Similarity NPD600 Approved
0.6835 Remote Similarity NPD1933 Approved
0.6825 Remote Similarity NPD7843 Approved
0.6825 Remote Similarity NPD7635 Approved
0.6821 Remote Similarity NPD1465 Phase 2
0.6821 Remote Similarity NPD2801 Approved
0.6818 Remote Similarity NPD1281 Approved
0.6812 Remote Similarity NPD4870 Approved
0.6812 Remote Similarity NPD8032 Phase 2
0.6809 Remote Similarity NPD1510 Phase 2
0.6806 Remote Similarity NPD4628 Phase 3
0.6803 Remote Similarity NPD6273 Approved
0.6797 Remote Similarity NPD7157 Approved
0.6788 Remote Similarity NPD5163 Phase 2
0.6783 Remote Similarity NPD1549 Phase 2
0.6783 Remote Similarity NPD9365 Approved
0.6777 Remote Similarity NPD9261 Approved
0.6767 Remote Similarity NPD1840 Phase 2
0.6765 Remote Similarity NPD1712 Approved
0.6765 Remote Similarity NPD454 Approved
0.6763 Remote Similarity NPD1240 Approved
0.6761 Remote Similarity NPD6100 Approved
0.6761 Remote Similarity NPD1501 Clinical (unspecified phase)
0.6761 Remote Similarity NPD6099 Approved
0.6761 Remote Similarity NPD4476 Approved
0.6761 Remote Similarity NPD4477 Approved
0.6759 Remote Similarity NPD2309 Approved
0.6755 Remote Similarity NPD6844 Discontinued
0.6752 Remote Similarity NPD2933 Approved
0.6752 Remote Similarity NPD2934 Approved
0.675 Remote Similarity NPD1242 Phase 1
0.6741 Remote Similarity NPD6362 Approved
0.6739 Remote Similarity NPD3764 Approved
0.6739 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6738 Remote Similarity NPD7097 Phase 1
0.6738 Remote Similarity NPD1521 Approved
0.6738 Remote Similarity NPD1520 Approved
0.6736 Remote Similarity NPD1243 Approved
0.6735 Remote Similarity NPD642 Clinical (unspecified phase)
0.6735 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6735 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6732 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6719 Remote Similarity NPD9281 Approved
0.6718 Remote Similarity NPD6382 Discontinued
0.6718 Remote Similarity NPD1357 Approved
0.6716 Remote Similarity NPD6582 Phase 2
0.6716 Remote Similarity NPD6583 Phase 3
0.6714 Remote Similarity NPD230 Phase 1
0.6713 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6713 Remote Similarity NPD6002 Phase 3
0.6713 Remote Similarity NPD6800 Clinical (unspecified phase)
0.6713 Remote Similarity NPD6005 Phase 3
0.6713 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6713 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6713 Remote Similarity NPD6004 Phase 3
0.6713 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6712 Remote Similarity NPD6666 Approved
0.6712 Remote Similarity NPD6667 Approved
0.6712 Remote Similarity NPD643 Clinical (unspecified phase)
0.6712 Remote Similarity NPD7440 Discontinued
0.6696 Remote Similarity NPD111 Approved
0.6695 Remote Similarity NPD2860 Approved

Structure

External Identifiers

PubChem CID   99477
ChEMBL   CHEMBL243263
ZINC  

Physicochemical Properties

Molecular Weight:  162.03
ALogP:  -0.1903
MLogP:  2.12
XLogP:  1.532
# Rotatable Bonds:  1
Polar Surface Area:  46.53
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  12

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