Natural Product: NPC99441

Natural Product ID:  NPC99441
Common Name:   Methyl Haematommate
IUPAC Name:   methyl 3-formyl-2,4-dihydroxy-6-methylbenzoate
Synonyms:   Methyl Beta-Orcinol Carboxylate; Methyl Haematommate
Molecular Formula:   C10H10O5
Standard InCHIKey:  PXFMUVDLJWXOQM-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H10O5/c1-5-3-7(12)6(4-11)9(13)8(5)10(14)15-2/h3-4,12-13H,1-2H3
Canonical SMILES:  COC(=O)c1c(C)cc(c(c1O)C=O)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
NPO22322 Parmotrema tinctorium Species Parmeliaceae Eukaryota PMID[11076561]
NPO13590 Diploicia canescens Species Caliciaceae Eukaryota PMID[19919064]
NPO25511 Streptomyces ghanaensis Species Streptomycetaceae Bacteria UNPD*
NPO20304 Astragalus pectinatus Species Fabaceae Eukaryota UNPD*
NPO13015 Pilosella officinarum Species Asteraceae Eukaryota UNPD*
NPO18807 Coffea pseudozanguebariae Species Rubiaceae Eukaryota UNPD*
NPO25809 Helleborus niger Species Ranunculaceae Eukaryota UNPD*
NPO17423 Solanum coccineum Species Solanaceae Eukaryota UNPD*
NPO22010 Dasyscyphus nidulus Species Hyaloscyphaceae Eukaryota UNPD*
NPO20689 Roystonea regia Species Arecaceae Eukaryota UNPD*
NPO2258 Johnius belangerii Species Sciaenidae Eukaryota UNPD*
NPO1921 Alectoria vivens Species Parmeliaceae Eukaryota TCMID*
NPO19943 Fleischmannia hymenophylla Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT965 Organism Amaranthus hypochondriacus Amaranthus hypochondriacus IC50 = 21000 nM 11076561
NPT117 Organism Echinochloa crus-galli Echinochloa crus-galli IC50 = 29000 nM 11076561
NPT965 Organism Amaranthus hypochondriacus Amaranthus hypochondriacus IC50 = 6800 nM 11076561
NPT117 Organism Echinochloa crus-galli Echinochloa crus-galli IC50 = 17000 nM 11076561
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens IC50 > 200000 nM 19362837
NPT319 Cell Line B16 Mus musculus IC50 > 10000 nM 19919064
NPT941 Cell Line HaCaT Homo sapiens IC50 > 10000 nM 19919064
NPT2 Others Unspecified AC50 > 420000 nM PubChem BioAssay data set
NPT803 Individual Protein Flap endonuclease 1 Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 651.3 nM PubChem BioAssay data set
NPT159 Individual Protein Aberrant vpr protein Human immunodeficiency virus 1 Potency 31622.8 nM PubChem BioAssay data set
NPT2701 Organism Pythium debaryanum Pythium debaryanum ED50 = 88.2 ug/ml 21351753
NPT961 Organism Pythium aphanidermatum Pythium aphanidermatum ED50 = 90.59 ug/ml 21351753
NPT2702 Organism Fusarium udum Fusarium udum ED50 = 71.22 ug/ml 21351753
NPT2703 Organism Rhizoctonia bataticola Rhizoctonia bataticola ED50 = 52.9 ug/ml 21351753
NPT529 Organism Rhizoctonia solani Rhizoctonia solani ED50 = 50.52 ug/ml 21351753
NPT722 Organism Athelia rolfsii Athelia rolfsii ED50 = 60.33 ug/ml 21351753
NPT2701 Organism Pythium debaryanum Pythium debaryanum Inhibition = 34 % 21351753
NPT2701 Organism Pythium debaryanum Pythium debaryanum Inhibition = 47.26 % 21351753
NPT2701 Organism Pythium debaryanum Pythium debaryanum Inhibition = 71.33 % 21351753
NPT961 Organism Pythium aphanidermatum Pythium aphanidermatum Inhibition = 24.43 % 21351753
NPT961 Organism Pythium aphanidermatum Pythium aphanidermatum Inhibition = 46.36 % 21351753
NPT961 Organism Pythium aphanidermatum Pythium aphanidermatum Inhibition = 69.26 % 21351753
NPT2702 Organism Fusarium udum Fusarium udum Inhibition = 46.46 % 21351753
NPT2702 Organism Fusarium udum Fusarium udum Inhibition = 50.46 % 21351753
NPT2702 Organism Fusarium udum Fusarium udum Inhibition = 67.33 % 21351753
NPT2703 Organism Rhizoctonia bataticola Rhizoctonia bataticola Inhibition = 53.13 % 21351753
NPT2703 Organism Rhizoctonia bataticola Rhizoctonia bataticola Inhibition = 61.43 % 21351753
NPT2703 Organism Rhizoctonia bataticola Rhizoctonia bataticola Inhibition = 78.2 % 21351753
NPT529 Organism Rhizoctonia solani Rhizoctonia solani Inhibition = 50.63 % 21351753
NPT529 Organism Rhizoctonia solani Rhizoctonia solani Inhibition = 72.6 % 21351753
NPT529 Organism Rhizoctonia solani Rhizoctonia solani Inhibition = 81.7 % 21351753
NPT722 Organism Athelia rolfsii Athelia rolfsii Inhibition = 44.21 % 21351753
NPT722 Organism Athelia rolfsii Athelia rolfsii Inhibition = 66.6 % 21351753
NPT722 Organism Athelia rolfsii Athelia rolfsii Inhibition = 89.16 % 21351753
NPT2 Others Unspecified Potency 32642.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5173.5 nM PubChem BioAssay data set
NPT535 Individual Protein Parathyroid hormone receptor Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3162.3 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 NPC99441 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
0.9925 High Similarity NPC37530
0.9699 High Similarity NPC158481
0.9624 High Similarity NPC278375
0.9416 High Similarity NPC165172
0.9353 High Similarity NPC159721
0.9338 High Similarity NPC194579
0.9328 High Similarity NPC153783
0.9323 High Similarity NPC189823
0.9323 High Similarity NPC219892
0.9286 High Similarity NPC42540
0.9286 High Similarity NPC151607
0.9259 High Similarity NPC474519
0.9248 High Similarity NPC62219
0.9248 High Similarity NPC296158
0.9214 High Similarity NPC471731
0.9209 High Similarity NPC470842
0.9203 High Similarity NPC275356
0.9203 High Similarity NPC88269
0.9197 High Similarity NPC70380
0.9185 High Similarity NPC48036
0.9143 High Similarity NPC471733
0.9137 High Similarity NPC472601
0.9137 High Similarity NPC472600
0.913 High Similarity NPC212693
0.913 High Similarity NPC191835
0.913 High Similarity NPC94248
0.9124 High Similarity NPC50455
0.9124 High Similarity NPC235115
0.9091 High Similarity NPC166583
0.9091 High Similarity NPC53362
0.9071 High Similarity NPC472603
0.9071 High Similarity NPC472604
0.9071 High Similarity NPC478217
0.9071 High Similarity NPC472605
0.9071 High Similarity NPC313123
0.9065 High Similarity NPC92655
0.9065 High Similarity NPC105456
0.9065 High Similarity NPC139634
0.9058 High Similarity NPC135837
0.9058 High Similarity NPC245058
0.9051 High Similarity NPC182496
0.9051 High Similarity NPC180905
0.9048 High Similarity NPC89625
0.9048 High Similarity NPC149618
0.9044 High Similarity NPC180261
0.9044 High Similarity NPC37299
0.9021 High Similarity NPC225173
0.9021 High Similarity NPC163846
0.9007 High Similarity NPC82913
0.9 High Similarity NPC168471
0.8993 High Similarity NPC478200
0.8993 High Similarity NPC221104
0.8993 High Similarity NPC33144
0.8993 High Similarity NPC472602
0.8986 High Similarity NPC291454
0.8978 High Similarity NPC175943
0.8978 High Similarity NPC474394
0.8958 High Similarity NPC125801
0.8958 High Similarity NPC471734
0.8951 High Similarity NPC473692
0.8944 High Similarity NPC478202
0.8944 High Similarity NPC472610
0.8936 High Similarity NPC1704
0.8936 High Similarity NPC472035
0.8936 High Similarity NPC67650
0.8936 High Similarity NPC478201
0.8936 High Similarity NPC53649
0.8929 High Similarity NPC268052
0.8929 High Similarity NPC32360
0.8929 High Similarity NPC162939
0.8929 High Similarity NPC52358
0.8921 High Similarity NPC474771
0.8921 High Similarity NPC474849
0.8921 High Similarity NPC65837
0.8921 High Similarity NPC71256
0.8921 High Similarity NPC149372
0.8921 High Similarity NPC178467
0.8913 High Similarity NPC290803
0.8904 High Similarity NPC119929
0.8889 High Similarity NPC473023
0.8889 High Similarity NPC471735
0.8873 High Similarity NPC182255
0.8873 High Similarity NPC94076
0.8872 High Similarity NPC201728
0.8872 High Similarity NPC262671
0.8865 High Similarity NPC155205
0.8865 High Similarity NPC158472
0.8857 High Similarity NPC475974
0.8849 High Similarity NPC118919
0.8849 High Similarity NPC156967
0.8849 High Similarity NPC472599
0.8844 High Similarity NPC133856
0.8841 High Similarity NPC475645
0.8836 High Similarity NPC291049
0.8836 High Similarity NPC233267
0.8819 High Similarity NPC75694
0.8815 High Similarity NPC41263
0.8811 High Similarity NPC84266
0.8811 High Similarity NPC51106
0.8811 High Similarity NPC469542
0.8811 High Similarity NPC472006
0.8808 High Similarity NPC143050
0.8803 High Similarity NPC158634
0.8803 High Similarity NPC90411
0.8803 High Similarity NPC149533
0.8803 High Similarity NPC244923
0.8803 High Similarity NPC475730
0.8794 High Similarity NPC247409
0.8794 High Similarity NPC474655
0.8794 High Similarity NPC471819
0.8784 High Similarity NPC273483
0.8784 High Similarity NPC271681
0.8767 High Similarity NPC37139
0.8767 High Similarity NPC105415
0.875 High Similarity NPC210966
0.875 High Similarity NPC478203
0.875 High Similarity NPC126882
0.875 High Similarity NPC48762
0.875 High Similarity NPC21599
0.875 High Similarity NPC193703
0.8741 High Similarity NPC250755
0.8741 High Similarity NPC322112
0.8741 High Similarity NPC474385
0.8732 High Similarity NPC183345
0.8725 High Similarity NPC470102
0.8725 High Similarity NPC208806
0.8725 High Similarity NPC472799
0.8723 High Similarity NPC472403
0.8723 High Similarity NPC9121
0.8723 High Similarity NPC177307
0.8699 High Similarity NPC14098
0.8699 High Similarity NPC137296
0.8699 High Similarity NPC8817
0.869 High Similarity NPC34482
0.869 High Similarity NPC257558
0.869 High Similarity NPC472034
0.869 High Similarity NPC83272
0.8686 High Similarity NPC17840
0.8686 High Similarity NPC247477
0.8667 High Similarity NPC95309
0.8658 High Similarity NPC175978
0.8652 High Similarity NPC222633
0.8652 High Similarity NPC301915
0.8652 High Similarity NPC261292
0.8649 High Similarity NPC150928
0.8649 High Similarity NPC158866
0.8643 High Similarity NPC27407
0.8643 High Similarity NPC142027
0.8639 High Similarity NPC2569
0.8639 High Similarity NPC153417
0.8639 High Similarity NPC172329
0.8633 High Similarity NPC267205
0.863 High Similarity NPC470570
0.863 High Similarity NPC260946
0.863 High Similarity NPC107625
0.863 High Similarity NPC470357
0.863 High Similarity NPC472033
0.8623 High Similarity NPC214702
0.8623 High Similarity NPC470831
0.8621 High Similarity NPC210425
0.8621 High Similarity NPC277426
0.8621 High Similarity NPC280404
0.8621 High Similarity NPC86373
0.8611 High Similarity NPC73061
0.8611 High Similarity NPC469579
0.8601 High Similarity NPC156872
0.8582 High Similarity NPC471690
0.8581 High Similarity NPC198927
0.8571 High Similarity NPC34802
0.8571 High Similarity NPC7943
0.8571 High Similarity NPC126767
0.8571 High Similarity NPC118027
0.8571 High Similarity NPC56433
0.8571 High Similarity NPC312929
0.8571 High Similarity NPC245584
0.8571 High Similarity NPC123202
0.8571 High Similarity NPC190648
0.8571 High Similarity NPC472036
0.8571 High Similarity NPC289042
0.8571 High Similarity NPC22005
0.8562 High Similarity NPC312789
0.8562 High Similarity NPC28632
0.8562 High Similarity NPC134621
0.8561 High Similarity NPC476389
0.8553 High Similarity NPC263483
0.8552 High Similarity NPC354984
0.8552 High Similarity NPC66593
0.8542 High Similarity NPC16455
0.8542 High Similarity NPC307990
0.8542 High Similarity NPC290550
0.8542 High Similarity NPC220106
0.854 High Similarity NPC293453
0.8533 High Similarity NPC217447
0.8523 High Similarity NPC205766
0.8523 High Similarity NPC202595
0.8523 High Similarity NPC470568
0.8523 High Similarity NPC179178
0.8523 High Similarity NPC325983
0.8523 High Similarity NPC255641
0.8523 High Similarity NPC147735

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC99441 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
0.8819 High Similarity NPD2534 Approved
0.8819 High Similarity NPD2533 Approved
0.8819 High Similarity NPD2532 Approved
0.8794 High Similarity NPD970 Clinical (unspecified phase)
0.8451 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.8235 Intermediate Similarity NPD7819 Suspended
0.8217 Intermediate Similarity NPD6232 Discontinued
0.8182 Intermediate Similarity NPD1607 Approved
0.8138 Intermediate Similarity NPD1551 Phase 2
0.8112 Intermediate Similarity NPD230 Phase 1
0.8069 Intermediate Similarity NPD1510 Phase 2
0.8063 Intermediate Similarity NPD7473 Discontinued
0.8042 Intermediate Similarity NPD1240 Approved
0.8 Intermediate Similarity NPD7390 Discontinued
0.7987 Intermediate Similarity NPD5711 Approved
0.7987 Intermediate Similarity NPD5710 Approved
0.7925 Intermediate Similarity NPD6959 Discontinued
0.7891 Intermediate Similarity NPD2935 Discontinued
0.7891 Intermediate Similarity NPD5405 Approved
0.7891 Intermediate Similarity NPD5404 Approved
0.7891 Intermediate Similarity NPD5408 Approved
0.7891 Intermediate Similarity NPD5406 Approved
0.7871 Intermediate Similarity NPD7411 Suspended
0.7868 Intermediate Similarity NPD9545 Approved
0.7852 Intermediate Similarity NPD9493 Approved
0.7838 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7838 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7829 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD1549 Phase 2
0.7771 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7742 Intermediate Similarity NPD3226 Approved
0.7736 Intermediate Similarity NPD7075 Discontinued
0.7727 Intermediate Similarity NPD920 Approved
0.7722 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7703 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD6599 Discontinued
0.7682 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7682 Intermediate Similarity NPD3750 Approved
0.7673 Intermediate Similarity NPD7768 Phase 2
0.7671 Intermediate Similarity NPD943 Approved
0.7669 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7658 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD1201 Approved
0.7636 Intermediate Similarity NPD5844 Phase 1
0.7616 Intermediate Similarity NPD2800 Approved
0.7616 Intermediate Similarity NPD1243 Approved
0.7597 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7595 Intermediate Similarity NPD1934 Approved
0.758 Intermediate Similarity NPD4380 Phase 2
0.7578 Intermediate Similarity NPD919 Approved
0.7568 Intermediate Similarity NPD6651 Approved
0.7566 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7552 Intermediate Similarity NPD1164 Approved
0.7552 Intermediate Similarity NPD1470 Approved
0.7532 Intermediate Similarity NPD1511 Approved
0.7532 Intermediate Similarity NPD6799 Approved
0.7516 Intermediate Similarity NPD3749 Approved
0.75 Intermediate Similarity NPD4626 Approved
0.75 Intermediate Similarity NPD6559 Discontinued
0.75 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD6801 Discontinued
0.7484 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD1283 Approved
0.7483 Intermediate Similarity NPD2346 Discontinued
0.7465 Intermediate Similarity NPD9269 Phase 2
0.7436 Intermediate Similarity NPD1512 Approved
0.7429 Intermediate Similarity NPD9268 Approved
0.7417 Intermediate Similarity NPD2796 Approved
0.7415 Intermediate Similarity NPD411 Approved
0.7415 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7415 Intermediate Similarity NPD3764 Approved
0.7391 Intermediate Similarity NPD3817 Phase 2
0.7351 Intermediate Similarity NPD3748 Approved
0.7346 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7346 Intermediate Similarity NPD3882 Suspended
0.7343 Intermediate Similarity NPD9717 Approved
0.7338 Intermediate Similarity NPD4628 Phase 3
0.7329 Intermediate Similarity NPD1465 Phase 2
0.7329 Intermediate Similarity NPD2801 Approved
0.7305 Intermediate Similarity NPD5691 Approved
0.7303 Intermediate Similarity NPD6100 Approved
0.7303 Intermediate Similarity NPD6099 Approved
0.7297 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD1247 Approved
0.7273 Intermediate Similarity NPD1281 Approved
0.7259 Intermediate Similarity NPD9266 Approved
0.7259 Intermediate Similarity NPD74 Approved
0.7237 Intermediate Similarity NPD2799 Discontinued
0.7235 Intermediate Similarity NPD5953 Discontinued
0.7226 Intermediate Similarity NPD7003 Approved
0.7216 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7214 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7195 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD1203 Approved
0.7188 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7185 Intermediate Similarity NPD9264 Approved
0.7185 Intermediate Similarity NPD9267 Approved
0.7185 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7185 Intermediate Similarity NPD9263 Approved
0.7184 Intermediate Similarity NPD8150 Discontinued
0.716 Intermediate Similarity NPD37 Approved
0.7153 Intermediate Similarity NPD422 Phase 1
0.7152 Intermediate Similarity NPD447 Suspended
0.7143 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6166 Phase 2
0.7118 Intermediate Similarity NPD7286 Phase 2
0.7118 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD5494 Approved
0.7103 Intermediate Similarity NPD1608 Approved
0.7095 Intermediate Similarity NPD9494 Approved
0.7081 Intermediate Similarity NPD7458 Discontinued
0.7076 Intermediate Similarity NPD7074 Phase 3
0.7063 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD3818 Discontinued
0.7051 Intermediate Similarity NPD2654 Approved
0.7048 Intermediate Similarity NPD6234 Discontinued
0.7044 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD4965 Approved
0.703 Intermediate Similarity NPD4967 Phase 2
0.703 Intermediate Similarity NPD4966 Approved
0.7027 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD7229 Phase 3
0.7018 Intermediate Similarity NPD7054 Approved
0.7014 Intermediate Similarity NPD1778 Approved
0.7006 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD4625 Phase 3
0.6977 Remote Similarity NPD7472 Approved
0.6974 Remote Similarity NPD2979 Phase 3
0.697 Remote Similarity NPD5402 Approved
0.6959 Remote Similarity NPD7177 Discontinued
0.6957 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6957 Remote Similarity NPD4750 Phase 3
0.6957 Remote Similarity NPD5403 Approved
0.6954 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6954 Remote Similarity NPD2313 Discontinued
0.6954 Remote Similarity NPD4419 Clinical (unspecified phase)
0.695 Remote Similarity NPD9281 Approved
0.6944 Remote Similarity NPD1651 Approved
0.6937 Remote Similarity NPD5401 Approved
0.6936 Remote Similarity NPD6797 Phase 2
0.6933 Remote Similarity NPD6832 Phase 2
0.6928 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6923 Remote Similarity NPD2344 Approved
0.6915 Remote Similarity NPD8151 Discontinued
0.6914 Remote Similarity NPD8312 Approved
0.6914 Remote Similarity NPD8313 Approved
0.6913 Remote Similarity NPD1019 Discontinued
0.6903 Remote Similarity NPD4308 Phase 3
0.6897 Remote Similarity NPD7251 Discontinued
0.6897 Remote Similarity NPD17 Approved
0.6889 Remote Similarity NPD9261 Approved
0.6867 Remote Similarity NPD4288 Approved
0.6864 Remote Similarity NPD7199 Phase 2
0.6863 Remote Similarity NPD4060 Phase 1
0.6859 Remote Similarity NPD2438 Suspended
0.6857 Remote Similarity NPD7808 Phase 3
0.6851 Remote Similarity NPD6534 Approved
0.6851 Remote Similarity NPD6535 Approved
0.6842 Remote Similarity NPD1296 Phase 2
0.6842 Remote Similarity NPD3268 Approved
0.6842 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6842 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6839 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6828 Remote Similarity NPD7435 Discontinued
0.6824 Remote Similarity NPD4749 Approved
0.6818 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6818 Remote Similarity NPD5124 Phase 1
0.6815 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6815 Remote Similarity NPD940 Approved
0.6815 Remote Similarity NPD1471 Phase 3
0.6815 Remote Similarity NPD846 Approved
0.6803 Remote Similarity NPD1610 Phase 2
0.68 Remote Similarity NPD2798 Approved
0.6798 Remote Similarity NPD8434 Phase 2
0.6797 Remote Similarity NPD6663 Approved
0.6797 Remote Similarity NPD520 Approved
0.6795 Remote Similarity NPD7033 Discontinued
0.6792 Remote Similarity NPD8166 Discontinued
0.6791 Remote Similarity NPD8320 Phase 1
0.6791 Remote Similarity NPD8319 Approved
0.679 Remote Similarity NPD6273 Approved
0.6784 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6776 Remote Similarity NPD5952 Clinical (unspecified phase)
0.677 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6763 Remote Similarity NPD7228 Approved
0.6763 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6757 Remote Similarity NPD6776 Approved
0.6757 Remote Similarity NPD3972 Approved
0.6757 Remote Similarity NPD6778 Approved
0.6757 Remote Similarity NPD6781 Approved
0.6757 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6757 Remote Similarity NPD6780 Approved
0.6757 Remote Similarity NPD6782 Approved
0.6757 Remote Similarity NPD6777 Approved
0.6757 Remote Similarity NPD6779 Approved
0.6755 Remote Similarity NPD5736 Approved
0.6752 Remote Similarity NPD4476 Approved

Structure

External Identifiers

PubChem CID   591773
ChEMBL   CHEMBL470649
ZINC  

Physicochemical Properties

Molecular Weight:  210.05
ALogP:  -0.4598
MLogP:  2.01
XLogP:  2.243
# Rotatable Bonds:  7
Polar Surface Area:  83.83
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  15

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