Natural Product: NPC150624

Natural Product ID:  NPC150624
Common Name:   Batatasin Iv
IUPAC Name:   3-[2-(2-hydroxyphenyl)ethyl]-5-methoxyphenol
Synonyms:   Batatasin Iv
Molecular Formula:   C15H16O3
Standard InCHIKey:  IUMFLNFLJUUODE-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3
Canonical SMILES:  COc1cc(CCc2ccccc2O)cc(c1)O
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
NPO5635 Bauhinia purpurea Species Fabaceae Eukaryota roots Phitsanulok Province, Thailand 2004-MAY PMID[17480099]
NPO8807 Laurentia longiflora NA NA NA UNPD*
NPO6828 Purpura aperta Species Muricidae Eukaryota UNPD*
NPO8559 Calophyllum venulosum Species Calophyllaceae Eukaryota UNPD*
NPO2455 Thermopsis mollis Species Fabaceae Eukaryota UNPD*
NPO4382 Elmerrillia papuana NA NA NA UNPD*
NPO809 Leitneria floridana Species Simaroubaceae Eukaryota UNPD*
NPO27517 Crinum latifolium Species Amaryllidaceae Eukaryota UNPD*
NPO25475 Syphonota geographica Species Aplysiidae Eukaryota UNPD*
NPO4628 Aloe deltoideodonta Species Asphodelaceae Eukaryota UNPD*
NPO8977 Notholaena aschenborniana Species Pteridaceae Eukaryota UNPD*
NPO13147 Euphorbia cyparissias Species Euphorbiaceae Eukaryota UNPD*
NPO6962 Cetraria delisei Species Parmeliaceae Eukaryota UNPD*
NPO27952 Rhizoma dioscoreae NA NA NA TCMSP*
NPO8460 Pedicularis torta Species Orobanchaceae Eukaryota UNPD*
NPO24833 Dioscorea polystachya Species Dioscoreaceae Eukaryota TCMID*
NPO2692 Dioscorea rotundata Species Dioscoreaceae Eukaryota TCMID*
NPO9881 Petrosia hebes Species Petrosiidae Eukaryota UNPD*
NPO7863 Dioscorea opposita Species Dioscoreaceae Eukaryota TCM_Taiwan*
NPO1103 Dioscorea japonica Species Dioscoreaceae Eukaryota Rhizomes PMID[21353549]
NPO10024 Tylecodon wallichii Species Crassulaceae Eukaryota UNPD*
NPO24359 Streptomyces cacaoi Species Streptomycetaceae Bacteria UNPD*
NPO20097 Thermobifida alba Species Nocardiopsaceae Bacteria UNPD*
NPO26245 Styracaster caroli Species Porcellanasteridae Eukaryota UNPD*
NPO5635 Bauhinia purpurea Species Fabaceae Eukaryota UNPD*
NPO9608 Lepraria citrina Species Stereocaulaceae Eukaryota UNPD*
NPO1490 Goldfussia yunnanensis NA NA NA UNPD*
NPO11181 Juniperus bermudiana Species Cupressaceae Eukaryota UNPD*
NPO6054 Sinularia brongersmai Species Alcyoniidae Eukaryota UNPD*
NPO11319 Laurencia hybrida Species Rhodomelaceae Eukaryota UNPD*
NPO19605 Tara spinosa Species Fabaceae Eukaryota UNPD*
NPO9419 Enterobacter cloacae Species Enterobacteriaceae Bacteria UNPD*
NPO3357 Alnus cordata Species Betulaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 204600 nM 17480099
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 > 81800 nM 17480099
NPT20 Organism Candida albicans Candida albicans IC50 > 204600 nM 17480099
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 > 40900 nM 17480099
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens IC50 > 40900 nM 17480099
NPT91 Cell Line KB Homo sapiens IC50 > 81800 nM 17480099
NPT1 Others Radical scavenging activity IC50 > 100 ug/ml 19303782
NPT2 Others Unspecified IC50 > 100 ug/ml 19303782
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 > 100 ug/ml 19303782
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries IC50 > 100 ug/ml 19303782
NPT76 Cell Line C6 Rattus norvegicus Activity = 106.1 % 21353549
NPT76 Cell Line C6 Rattus norvegicus Activity = 95 % 21353549

  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 NPC150624 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
0.9908 High Similarity NPC69261
0.9908 High Similarity NPC33270
0.9907 High Similarity NPC808
0.9815 High Similarity NPC276737
0.9815 High Similarity NPC22610
0.973 High Similarity NPC184302
0.9727 High Similarity NPC244816
0.9727 High Similarity NPC221549
0.9727 High Similarity NPC50521
0.9725 High Similarity NPC53906
0.964 High Similarity NPC190514
0.9636 High Similarity NPC141090
0.955 High Similarity NPC127894
0.955 High Similarity NPC15860
0.955 High Similarity NPC474933
0.955 High Similarity NPC219070
0.955 High Similarity NPC470759
0.9545 High Similarity NPC167934
0.9474 High Similarity NPC476633
0.9459 High Similarity NPC114064
0.9459 High Similarity NPC203113
0.9459 High Similarity NPC229147
0.9459 High Similarity NPC85292
0.9459 High Similarity NPC54507
0.9444 High Similarity NPC94045
0.9444 High Similarity NPC168657
0.9391 High Similarity NPC77789
0.9391 High Similarity NPC18128
0.9386 High Similarity NPC102639
0.9375 High Similarity NPC195466
0.9369 High Similarity NPC464
0.9369 High Similarity NPC185541
0.9292 High Similarity NPC131118
0.9279 High Similarity NPC228287
0.9279 High Similarity NPC180508
0.9273 High Similarity NPC280606
0.9266 High Similarity NPC2682
0.9182 High Similarity NPC296920
0.9182 High Similarity NPC90520
0.9153 High Similarity NPC105925
0.9153 High Similarity NPC113495
0.9153 High Similarity NPC105031
0.9145 High Similarity NPC121115
0.9138 High Similarity NPC75713
0.9091 High Similarity NPC303521
0.9076 High Similarity NPC223953
0.9076 High Similarity NPC170485
0.9074 High Similarity NPC164576
0.9068 High Similarity NPC228503
0.9068 High Similarity NPC138248
0.9052 High Similarity NPC218753
0.9009 High Similarity NPC255068
0.9 High Similarity NPC246620
0.9 High Similarity NPC236760
0.9 High Similarity NPC473221
0.9 High Similarity NPC324112
0.9 High Similarity NPC159968
0.9 High Similarity NPC124452
0.9 High Similarity NPC236791
0.9 High Similarity NPC74817
0.9 High Similarity NPC293054
0.9 High Similarity NPC282000
0.9 High Similarity NPC82679
0.9 High Similarity NPC169474
0.8992 High Similarity NPC60885
0.8992 High Similarity NPC234400
0.8992 High Similarity NPC105718
0.8992 High Similarity NPC278955
0.8991 High Similarity NPC35543
0.8983 High Similarity NPC95168
0.8983 High Similarity NPC474160
0.8983 High Similarity NPC136319
0.8983 High Similarity NPC282496
0.8983 High Similarity NPC233526
0.8926 High Similarity NPC154866
0.8926 High Similarity NPC266691
0.8917 High Similarity NPC103823
0.8917 High Similarity NPC18924
0.8917 High Similarity NPC44748
0.8917 High Similarity NPC214406
0.8917 High Similarity NPC82299
0.8917 High Similarity NPC78974
0.8917 High Similarity NPC28730
0.8917 High Similarity NPC223136
0.8909 High Similarity NPC174981
0.8909 High Similarity NPC245115
0.8909 High Similarity NPC75440
0.8908 High Similarity NPC270030
0.8898 High Similarity NPC41562
0.8898 High Similarity NPC100099
0.8898 High Similarity NPC36016
0.8889 High Similarity NPC102216
0.8879 High Similarity NPC85895
0.8879 High Similarity NPC137294
0.8852 High Similarity NPC471519
0.8852 High Similarity NPC190144
0.8852 High Similarity NPC471518
0.8843 High Similarity NPC53781
0.8843 High Similarity NPC266555
0.8843 High Similarity NPC46978
0.8833 High Similarity NPC82483
0.8833 High Similarity NPC131397
0.8833 High Similarity NPC251855
0.8833 High Similarity NPC472093
0.8833 High Similarity NPC476254
0.8833 High Similarity NPC265483
0.8833 High Similarity NPC208950
0.8833 High Similarity NPC17943
0.8833 High Similarity NPC203133
0.8833 High Similarity NPC233410
0.8833 High Similarity NPC57490
0.8833 High Similarity NPC475169
0.8833 High Similarity NPC116907
0.8833 High Similarity NPC298757
0.8833 High Similarity NPC221077
0.8833 High Similarity NPC117214
0.8833 High Similarity NPC299584
0.8833 High Similarity NPC193544
0.8829 High Similarity NPC82016
0.8829 High Similarity NPC19808
0.8829 High Similarity NPC33728
0.8824 High Similarity NPC84086
0.8824 High Similarity NPC76465
0.8824 High Similarity NPC197757
0.8824 High Similarity NPC38761
0.8824 High Similarity NPC228922
0.8814 High Similarity NPC54972
0.8814 High Similarity NPC193364
0.8814 High Similarity NPC212965
0.8803 High Similarity NPC8283
0.8803 High Similarity NPC258979
0.8803 High Similarity NPC93398
0.8793 High Similarity NPC63010
0.8793 High Similarity NPC74821
0.878 High Similarity NPC299221
0.878 High Similarity NPC224157
0.878 High Similarity NPC234488
0.878 High Similarity NPC311680
0.878 High Similarity NPC254000
0.878 High Similarity NPC51840
0.878 High Similarity NPC192687
0.878 High Similarity NPC126836
0.877 High Similarity NPC215300
0.877 High Similarity NPC63179
0.877 High Similarity NPC28765
0.877 High Similarity NPC38017
0.876 High Similarity NPC283049
0.876 High Similarity NPC50315
0.876 High Similarity NPC230479
0.876 High Similarity NPC26879
0.875 High Similarity NPC197351
0.875 High Similarity NPC5796
0.875 High Similarity NPC86502
0.875 High Similarity NPC140521
0.875 High Similarity NPC206487
0.875 High Similarity NPC106914
0.875 High Similarity NPC246648
0.875 High Similarity NPC134195
0.8739 High Similarity NPC120638
0.8739 High Similarity NPC74137
0.8739 High Similarity NPC474864
0.8739 High Similarity NPC57199
0.8729 High Similarity NPC166759
0.8718 High Similarity NPC295259
0.8718 High Similarity NPC226629
0.8716 High Similarity NPC241891
0.871 High Similarity NPC474356
0.871 High Similarity NPC282508
0.871 High Similarity NPC471517
0.871 High Similarity NPC15543
0.871 High Similarity NPC12275
0.871 High Similarity NPC45715
0.871 High Similarity NPC473309
0.871 High Similarity NPC472590
0.8704 High Similarity NPC100340
0.8704 High Similarity NPC143659
0.8699 High Similarity NPC96719
0.8699 High Similarity NPC16577
0.8699 High Similarity NPC469951
0.8699 High Similarity NPC58164
0.8699 High Similarity NPC212015
0.8699 High Similarity NPC10225
0.8699 High Similarity NPC222108
0.8699 High Similarity NPC469963
0.8696 High Similarity NPC232165
0.8689 High Similarity NPC252131
0.8689 High Similarity NPC127587
0.8689 High Similarity NPC242032
0.8678 High Similarity NPC249836
0.8678 High Similarity NPC17809
0.8678 High Similarity NPC293801
0.8678 High Similarity NPC188022
0.8678 High Similarity NPC102540
0.8678 High Similarity NPC285040
0.8678 High Similarity NPC103420
0.8673 High Similarity NPC224527
0.8673 High Similarity NPC165770
0.8673 High Similarity NPC4493
0.8673 High Similarity NPC476632
0.8673 High Similarity NPC225679

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC150624 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
0.8814 High Similarity NPD1610 Phase 2
0.8793 High Similarity NPD1548 Phase 1
0.8699 High Similarity NPD4625 Phase 3
0.8667 High Similarity NPD4749 Approved
0.8618 High Similarity NPD4908 Phase 1
0.8548 High Similarity NPD3027 Phase 3
0.848 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.8468 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8455 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.8387 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8364 Intermediate Similarity NPD940 Approved
0.8364 Intermediate Similarity NPD846 Approved
0.8346 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8346 Intermediate Similarity NPD1613 Approved
0.8333 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD4750 Phase 3
0.8273 Intermediate Similarity NPD1242 Phase 1
0.822 Intermediate Similarity NPD6671 Approved
0.8197 Intermediate Similarity NPD422 Phase 1
0.8095 Intermediate Similarity NPD2861 Phase 2
0.8095 Intermediate Similarity NPD3018 Phase 2
0.8065 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.8062 Intermediate Similarity NPD1240 Approved
0.7939 Intermediate Similarity NPD1607 Approved
0.792 Intermediate Similarity NPD2982 Phase 2
0.792 Intermediate Similarity NPD2983 Phase 2
0.7913 Intermediate Similarity NPD968 Approved
0.7909 Intermediate Similarity NPD844 Approved
0.7907 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD6099 Approved
0.7895 Intermediate Similarity NPD6100 Approved
0.7881 Intermediate Similarity NPD228 Approved
0.784 Intermediate Similarity NPD2981 Phase 2
0.782 Intermediate Similarity NPD1510 Phase 2
0.7769 Intermediate Similarity NPD709 Approved
0.775 Intermediate Similarity NPD5283 Phase 1
0.7748 Intermediate Similarity NPD2859 Approved
0.7748 Intermediate Similarity NPD2860 Approved
0.7699 Intermediate Similarity NPD3020 Approved
0.7698 Intermediate Similarity NPD2232 Approved
0.7698 Intermediate Similarity NPD2230 Approved
0.7698 Intermediate Similarity NPD1608 Approved
0.7698 Intermediate Similarity NPD2233 Approved
0.7692 Intermediate Similarity NPD290 Approved
0.7679 Intermediate Similarity NPD288 Approved
0.7664 Intermediate Similarity NPD3892 Phase 2
0.7658 Intermediate Similarity NPD2933 Approved
0.7658 Intermediate Similarity NPD2934 Approved
0.7652 Intermediate Similarity NPD2238 Phase 2
0.7632 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD1091 Approved
0.76 Intermediate Similarity NPD4626 Approved
0.76 Intermediate Similarity NPD1778 Approved
0.7597 Intermediate Similarity NPD6584 Phase 3
0.7578 Intermediate Similarity NPD6696 Suspended
0.7574 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7574 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7571 Intermediate Similarity NPD7447 Phase 1
0.7571 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7563 Intermediate Similarity NPD5451 Approved
0.7536 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7519 Intermediate Similarity NPD4060 Phase 1
0.7519 Intermediate Similarity NPD2797 Approved
0.7518 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7518 Intermediate Similarity NPD1549 Phase 2
0.75 Intermediate Similarity NPD1551 Phase 2
0.75 Intermediate Similarity NPD7213 Phase 3
0.75 Intermediate Similarity NPD7212 Phase 2
0.75 Intermediate Similarity NPD2935 Discontinued
0.7479 Intermediate Similarity NPD2684 Approved
0.746 Intermediate Similarity NPD17 Approved
0.7445 Intermediate Similarity NPD3540 Phase 1
0.7417 Intermediate Similarity NPD3021 Approved
0.7417 Intermediate Similarity NPD3022 Approved
0.7411 Intermediate Similarity NPD845 Approved
0.741 Intermediate Similarity NPD3750 Approved
0.7407 Intermediate Similarity NPD4097 Suspended
0.7402 Intermediate Similarity NPD3496 Discontinued
0.7397 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD1651 Approved
0.7377 Intermediate Similarity NPD7635 Approved
0.7376 Intermediate Similarity NPD1511 Approved
0.7372 Intermediate Similarity NPD2796 Approved
0.7372 Intermediate Similarity NPD3539 Phase 1
0.7364 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7364 Intermediate Similarity NPD6583 Phase 3
0.7364 Intermediate Similarity NPD1669 Approved
0.7364 Intermediate Similarity NPD6582 Phase 2
0.7348 Intermediate Similarity NPD596 Approved
0.7348 Intermediate Similarity NPD600 Approved
0.7345 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD2557 Approved
0.7338 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD5124 Phase 1
0.7329 Intermediate Similarity NPD1934 Approved
0.7323 Intermediate Similarity NPD2668 Approved
0.7323 Intermediate Similarity NPD2667 Approved
0.7317 Intermediate Similarity NPD1398 Phase 1
0.7308 Intermediate Similarity NPD1283 Approved
0.7308 Intermediate Similarity NPD3225 Approved
0.7299 Intermediate Similarity NPD7033 Discontinued
0.7287 Intermediate Similarity NPD2235 Phase 2
0.7287 Intermediate Similarity NPD2231 Phase 2
0.7286 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD2801 Approved
0.7273 Intermediate Similarity NPD1512 Approved
0.7266 Intermediate Similarity NPD3847 Discontinued
0.7259 Intermediate Similarity NPD1558 Phase 1
0.725 Intermediate Similarity NPD2342 Discontinued
0.7244 Intermediate Similarity NPD3443 Approved
0.7244 Intermediate Similarity NPD5691 Approved
0.7244 Intermediate Similarity NPD3445 Approved
0.7244 Intermediate Similarity NPD3444 Approved
0.7239 Intermediate Similarity NPD3268 Approved
0.7236 Intermediate Similarity NPD1138 Approved
0.7236 Intermediate Similarity NPD5535 Approved
0.7236 Intermediate Similarity NPD821 Approved
0.7236 Intermediate Similarity NPD7843 Approved
0.7214 Intermediate Similarity NPD5177 Phase 3
0.7209 Intermediate Similarity NPD1611 Approved
0.7207 Intermediate Similarity NPD9295 Approved
0.7203 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD7157 Approved
0.72 Intermediate Similarity NPD6387 Discontinued
0.7197 Intermediate Similarity NPD4624 Approved
0.7192 Intermediate Similarity NPD4380 Phase 2
0.7185 Intermediate Similarity NPD839 Approved
0.7185 Intermediate Similarity NPD840 Approved
0.7181 Intermediate Similarity NPD3882 Suspended
0.7176 Intermediate Similarity NPD8651 Approved
0.7163 Intermediate Similarity NPD7466 Approved
0.7162 Intermediate Similarity NPD7819 Suspended
0.7154 Intermediate Similarity NPD1139 Approved
0.7154 Intermediate Similarity NPD1137 Approved
0.7153 Intermediate Similarity NPD1772 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1712 Approved
0.7143 Intermediate Similarity NPD7340 Approved
0.7133 Intermediate Similarity NPD4357 Discontinued
0.7131 Intermediate Similarity NPD1792 Phase 2
0.713 Intermediate Similarity NPD1809 Phase 2
0.7121 Intermediate Similarity NPD1203 Approved
0.7114 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7109 Intermediate Similarity NPD3049 Approved
0.7109 Intermediate Similarity NPD5585 Approved
0.7109 Intermediate Similarity NPD1357 Approved
0.7101 Intermediate Similarity NPD2200 Suspended
0.7095 Intermediate Similarity NPD37 Approved
0.7092 Intermediate Similarity NPD1652 Phase 2
0.709 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD5536 Phase 2
0.7077 Intermediate Similarity NPD1281 Approved
0.7071 Intermediate Similarity NPD5763 Approved
0.7071 Intermediate Similarity NPD5762 Approved
0.7068 Intermediate Similarity NPD2798 Approved
0.7068 Intermediate Similarity NPD3691 Phase 2
0.7068 Intermediate Similarity NPD3690 Phase 2
0.7067 Intermediate Similarity NPD7768 Phase 2
0.7067 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD7124 Phase 2
0.7059 Intermediate Similarity NPD6232 Discontinued
0.7055 Intermediate Similarity NPD1653 Approved
0.7054 Intermediate Similarity NPD6516 Phase 2
0.7054 Intermediate Similarity NPD5846 Approved
0.705 Intermediate Similarity NPD3748 Approved
0.7045 Intermediate Similarity NPD2922 Phase 1
0.7039 Intermediate Similarity NPD6746 Phase 2
0.7037 Intermediate Similarity NPD1024 Discontinued
0.7037 Intermediate Similarity NPD7095 Approved
0.7037 Intermediate Similarity NPD9089 Approved
0.7031 Intermediate Similarity NPD1182 Approved
0.7027 Intermediate Similarity NPD7411 Suspended
0.7027 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD1445 Approved
0.7025 Intermediate Similarity NPD1444 Approved
0.702 Intermediate Similarity NPD7075 Discontinued
0.702 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD6799 Approved
0.7014 Intermediate Similarity NPD7040 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD7041 Phase 2
0.7008 Intermediate Similarity NPD9493 Approved
0.7008 Intermediate Similarity NPD3596 Phase 2
0.7007 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD3620 Phase 2
0.7007 Intermediate Similarity NPD943 Approved
0.7007 Intermediate Similarity NPD4005 Discontinued
0.7 Intermediate Similarity NPD6032 Approved
0.7 Intermediate Similarity NPD111 Approved
0.6985 Remote Similarity NPD6798 Discontinued
0.6985 Remote Similarity NPD1296 Phase 2
0.6984 Remote Similarity NPD1476 Clinical (unspecified phase)
0.6978 Remote Similarity NPD4538 Approved
0.6978 Remote Similarity NPD6111 Discontinued
0.6978 Remote Similarity NPD4536 Approved
0.6978 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6978 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6974 Remote Similarity NPD6234 Discontinued
0.6972 Remote Similarity NPD3060 Approved

Structure

External Identifiers

PubChem CID   181271
ChEMBL   CHEMBL228126
ZINC  

Physicochemical Properties

Molecular Weight:  244.11
ALogP:  -0.8476
MLogP:  2.78
XLogP:  3.528
# Rotatable Bonds:  7
Polar Surface Area:  49.69
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  18

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
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