Natural Product: NPC14098

Natural Product ID:  NPC14098
Common Name:   Alternarienonic Acid
IUPAC Name:   2-hydroxy-6-[(4R)-4-hydroxy-2-methyl-5-oxocyclopenten-1-yl]-4-methoxybenzoic acid
Synonyms:   Alternarienonic Acid
Molecular Formula:   C14H14O6
Standard InCHIKey:  KZPGRZQYEBJXQJ-SNVBAGLBSA-N
Standard InCHI:  InChI=1S/C14H14O6/c1-6-3-10(16)13(17)11(6)8-4-7(20-2)5-9(15)12(8)14(18)19/h4-5,10,15-16H,3H2,1-2H3,(H,18,19)/t10-/m1/s1
Canonical SMILES:  COc1cc(O)c(c(c1)C1=C(C)C[C@H](C1=O)O)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
NPO32908 alternaria sp. Species Pleosporaceae Eukaryota PMID[18494522]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1864 Cell Line L5178Y Mus musculus Activity = 101.2 % 18590312
NPT2213 Individual Protein Cyclin-dependent kinase 4 Homo sapiens IC50 > 10 ug/ml 12502319
NPT2574 Individual Protein Insulin receptor Homo sapiens IC50 = 8.1 ug/ml 21524583
NPT1598 Individual Protein Casein kinase II alpha Homo sapiens IC50 > 10 ug/ml PubChem BioAssay data set
NPT1436 Individual Protein Focal adhesion kinase 1 Homo sapiens IC50 > 10 ug/ml 10.6019/CHEMBL1201861
NPT2571 Individual Protein Mitogen-activated protein kinase kinase kinase 8 Homo sapiens IC50 > 10 ug/ml 24673739
NPT2572 Individual Protein Ephrin type-B receptor 4 Homo sapiens IC50 > 10 ug/ml 25237727
NPT1478 Individual Protein Vascular endothelial growth factor receptor 2 Homo sapiens IC50 = 5.1 ug/ml 11170658
NPT1702 Individual Protein Serine/threonine-protein kinase PLK4 Homo sapiens IC50 = 2.5 ug/ml 19245261
NPT2 Others Unspecified IC50 = 9 ug/ml 19456120
NPT728 Individual Protein Serine/threonine-protein kinase AKT Homo sapiens IC50 > 10 ug/ml 17116681
NPT2576 Individual Protein Tyrosine-protein kinase TIE-2 Homo sapiens IC50 > 10 ug/ml 19114678
NPT285 Individual Protein Epidermal growth factor receptor erbB1 Homo sapiens IC50 = 6.5 ug/ml 25136911
NPT2573 Individual Protein Vascular endothelial growth factor receptor 3 Homo sapiens IC50 = 3.7 ug/ml PubChem BioAssay data set
NPT1433 Individual Protein Serine/threonine-protein kinase Aurora-B Homo sapiens IC50 = 3 ug/ml 10.6019/CHEMBL1201861
NPT1660 Individual Protein NUAK family SNF1-like kinase 1 Homo sapiens IC50 = 4 ug/ml 23831811
NPT1337 Individual Protein Hepatocyte growth factor receptor Homo sapiens IC50 = 9.4 ug/ml Open TG-GATES in vivo data: Hematology
NPT2575 Individual Protein Platelet-derived growth factor receptor beta Homo sapiens IC50 > 10 ug/ml Open TG-GATES in vivo data: Hematology
NPT1438 Individual Protein Insulin-like growth factor I receptor Homo sapiens IC50 = 3.6 ug/ml 21155593
NPT1432 Individual Protein Serine/threonine-protein kinase Aurora-A Homo sapiens IC50 = 4.4 ug/ml 8450319
NPT831 Individual Protein Serine/threonine-protein kinase PLK1 Homo sapiens IC50 > 10 ug/ml 14640522
NPT36 Individual Protein Tyrosine-protein kinase SRC Homo sapiens IC50 = 4.6 ug/ml 15568791
NPT1371 Individual Protein Cyclin-dependent kinase 2 Homo sapiens IC50 > 10 ug/ml 18023930
NPT286 Individual Protein Receptor protein-tyrosine kinase erbB-2 Homo sapiens IC50 > 10 ug/ml 17620379
NPT1650 Individual Protein Tyrosine-protein kinase receptor FLT3 Homo sapiens IC50 = 6.6 ug/ml DrugMatrix in vitro pharmacology data

  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 NPC14098 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
0.9247 High Similarity NPC153417
0.9184 High Similarity NPC4423
0.9184 High Similarity NPC77325
0.9178 High Similarity NPC472036
0.9178 High Similarity NPC210320
0.9172 High Similarity NPC472034
0.9167 High Similarity NPC472006
0.9167 High Similarity NPC469542
0.9167 High Similarity NPC51106
0.9161 High Similarity NPC67650
0.9161 High Similarity NPC1704
0.9149 High Similarity NPC135837
0.9143 High Similarity NPC182496
0.9143 High Similarity NPC180905
0.9139 High Similarity NPC473395
0.9116 High Similarity NPC471642
0.9116 High Similarity NPC73411
0.9116 High Similarity NPC240253
0.9116 High Similarity NPC471641
0.9116 High Similarity NPC215711
0.9116 High Similarity NPC240622
0.911 High Similarity NPC472033
0.9097 High Similarity NPC474385
0.9054 High Similarity NPC198927
0.9041 High Similarity NPC473692
0.9028 High Similarity NPC475730
0.9028 High Similarity NPC90411
0.9028 High Similarity NPC244923
0.9028 High Similarity NPC313123
0.9028 High Similarity NPC478217
0.9021 High Similarity NPC92655
0.9021 High Similarity NPC268052
0.898 High Similarity NPC107625
0.8973 High Similarity NPC210425
0.8973 High Similarity NPC86373
0.8973 High Similarity NPC280404
0.8973 High Similarity NPC277426
0.8966 High Similarity NPC469579
0.8958 High Similarity NPC165172
0.8951 High Similarity NPC475974
0.8951 High Similarity NPC94248
0.8951 High Similarity NPC212693
0.8951 High Similarity NPC191835
0.8912 High Similarity NPC312789
0.8904 High Similarity NPC478202
0.8897 High Similarity NPC472035
0.8897 High Similarity NPC478201
0.8889 High Similarity NPC52358
0.8889 High Similarity NPC474655
0.8889 High Similarity NPC105456
0.8889 High Similarity NPC32360
0.8889 High Similarity NPC139634
0.8882 High Similarity NPC99381
0.8881 High Similarity NPC65837
0.8881 High Similarity NPC474771
0.8881 High Similarity NPC474849
0.8881 High Similarity NPC70380
0.8881 High Similarity NPC178467
0.8881 High Similarity NPC149372
0.8865 High Similarity NPC153783
0.8857 High Similarity NPC219892
0.8857 High Similarity NPC189823
0.8836 High Similarity NPC250755
0.8819 High Similarity NPC478200
0.8819 High Similarity NPC33144
0.8811 High Similarity NPC235115
0.8808 High Similarity NPC200773
0.8808 High Similarity NPC240768
0.88 High Similarity NPC270160
0.88 High Similarity NPC237440
0.8784 High Similarity NPC257558
0.8776 High Similarity NPC354984
0.8776 High Similarity NPC471643
0.8776 High Similarity NPC471639
0.8767 High Similarity NPC158634
0.8759 High Similarity NPC57380
0.8742 High Similarity NPC469670
0.8742 High Similarity NPC60413
0.8742 High Similarity NPC179178
0.8742 High Similarity NPC469619
0.8716 High Similarity NPC210966
0.8716 High Similarity NPC478203
0.8716 High Similarity NPC126882
0.8707 High Similarity NPC471644
0.8707 High Similarity NPC471640
0.8699 High Similarity NPC158472
0.8699 High Similarity NPC99441
0.869 High Similarity NPC472602
0.869 High Similarity NPC9121
0.869 High Similarity NPC472403
0.869 High Similarity NPC177307
0.8684 High Similarity NPC70016
0.8684 High Similarity NPC215921
0.8681 High Similarity NPC158481
0.8681 High Similarity NPC84699
0.8675 High Similarity NPC6923
0.8675 High Similarity NPC476684
0.8671 High Similarity NPC175943
0.8667 High Similarity NPC8817
0.8658 High Similarity NPC134621
0.8645 High Similarity NPC246466
0.8643 High Similarity NPC41263
0.8643 High Similarity NPC293453
0.8639 High Similarity NPC472604
0.8639 High Similarity NPC53649
0.8639 High Similarity NPC37530
0.8639 High Similarity NPC16455
0.8639 High Similarity NPC220106
0.8639 High Similarity NPC472605
0.8639 High Similarity NPC307990
0.8639 High Similarity NPC472603
0.8636 High Similarity NPC79998
0.863 High Similarity NPC247409
0.863 High Similarity NPC88269
0.863 High Similarity NPC275356
0.8627 High Similarity NPC167903
0.8621 High Similarity NPC71256
0.8621 High Similarity NPC194579
0.8618 High Similarity NPC56204
0.8618 High Similarity NPC96501
0.8618 High Similarity NPC119929
0.8609 High Similarity NPC172329
0.8609 High Similarity NPC2569
0.86 High Similarity NPC237208
0.86 High Similarity NPC225173
0.86 High Similarity NPC163846
0.86 High Similarity NPC138978
0.86 High Similarity NPC267509
0.86 High Similarity NPC470357
0.8599 High Similarity NPC117985
0.8591 High Similarity NPC66404
0.8591 High Similarity NPC95123
0.8582 High Similarity NPC212379
0.8582 High Similarity NPC69235
0.8581 High Similarity NPC182255
0.8581 High Similarity NPC94076
0.8581 High Similarity NPC96692
0.8581 High Similarity NPC297985
0.8581 High Similarity NPC105648
0.8581 High Similarity NPC82913
0.8581 High Similarity NPC49108
0.8571 High Similarity NPC192189
0.8571 High Similarity NPC305518
0.8571 High Similarity NPC472601
0.8571 High Similarity NPC128428
0.8571 High Similarity NPC472600
0.8571 High Similarity NPC155205
0.8571 High Similarity NPC37206
0.8571 High Similarity NPC281477
0.8552 High Similarity NPC50455
0.8552 High Similarity NPC242712
0.8543 High Similarity NPC53362
0.8543 High Similarity NPC125801
0.8543 High Similarity NPC166583
0.8535 High Similarity NPC243701
0.8533 High Similarity NPC32470
0.8533 High Similarity NPC316535
0.8533 High Similarity NPC75694
0.8533 High Similarity NPC28632
0.8533 High Similarity NPC83272
0.8533 High Similarity NPC29577
0.8526 High Similarity NPC190020
0.8526 High Similarity NPC84935
0.8526 High Similarity NPC77679
0.8523 High Similarity NPC471731
0.8523 High Similarity NPC310340
0.8523 High Similarity NPC159721
0.8523 High Similarity NPC84266
0.8521 High Similarity NPC42292
0.8521 High Similarity NPC307732
0.8516 High Similarity NPC38898
0.8516 High Similarity NPC16082
0.8516 High Similarity NPC82592
0.8516 High Similarity NPC199926
0.8514 High Similarity NPC275734
0.8506 High Similarity NPC478224
0.8506 High Similarity NPC271681
0.8506 High Similarity NPC273483
0.8497 Intermediate Similarity NPC472891
0.8497 Intermediate Similarity NPC470107
0.8497 Intermediate Similarity NPC475460
0.8493 Intermediate Similarity NPC193792
0.8493 Intermediate Similarity NPC121243
0.8493 Intermediate Similarity NPC222633
0.8493 Intermediate Similarity NPC240147
0.8493 Intermediate Similarity NPC470397
0.8483 Intermediate Similarity NPC27407
0.8483 Intermediate Similarity NPC142027
0.8483 Intermediate Similarity NPC164136
0.8477 Intermediate Similarity NPC473023
0.8477 Intermediate Similarity NPC260946
0.8472 Intermediate Similarity NPC48036
0.8471 Intermediate Similarity NPC470339
0.8467 Intermediate Similarity NPC470932
0.8467 Intermediate Similarity NPC184702
0.8467 Intermediate Similarity NPC42540
0.8467 Intermediate Similarity NPC19896
0.8467 Intermediate Similarity NPC245482
0.8467 Intermediate Similarity NPC301751
0.8467 Intermediate Similarity NPC151607

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC14098 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
0.8889 High Similarity NPD970 Clinical (unspecified phase)
0.8533 High Similarity NPD2532 Approved
0.8533 High Similarity NPD2534 Approved
0.8533 High Similarity NPD2533 Approved
0.8299 Intermediate Similarity NPD1510 Phase 2
0.8276 Intermediate Similarity NPD1240 Approved
0.8217 Intermediate Similarity NPD7819 Suspended
0.8188 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8188 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8163 Intermediate Similarity NPD1607 Approved
0.8133 Intermediate Similarity NPD1549 Phase 2
0.8063 Intermediate Similarity NPD7075 Discontinued
0.8052 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8026 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7987 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7987 Intermediate Similarity NPD6799 Approved
0.7975 Intermediate Similarity NPD7411 Suspended
0.7937 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7925 Intermediate Similarity NPD1934 Approved
0.7925 Intermediate Similarity NPD6801 Discontinued
0.7911 Intermediate Similarity NPD6599 Discontinued
0.7908 Intermediate Similarity NPD3750 Approved
0.7888 Intermediate Similarity NPD3882 Suspended
0.7885 Intermediate Similarity NPD1512 Approved
0.7875 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7866 Intermediate Similarity NPD6232 Discontinued
0.784 Intermediate Similarity NPD3749 Approved
0.7831 Intermediate Similarity NPD7473 Discontinued
0.7826 Intermediate Similarity NPD3817 Phase 2
0.7805 Intermediate Similarity NPD6959 Discontinued
0.7799 Intermediate Similarity NPD4380 Phase 2
0.7771 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD6166 Phase 2
0.7763 Intermediate Similarity NPD2796 Approved
0.7763 Intermediate Similarity NPD2935 Discontinued
0.7763 Intermediate Similarity NPD1551 Phase 2
0.7758 Intermediate Similarity NPD5710 Approved
0.7758 Intermediate Similarity NPD5711 Approved
0.7756 Intermediate Similarity NPD1511 Approved
0.7733 Intermediate Similarity NPD230 Phase 1
0.7727 Intermediate Similarity NPD2800 Approved
0.7727 Intermediate Similarity NPD1243 Approved
0.7697 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7683 Intermediate Similarity NPD919 Approved
0.7625 Intermediate Similarity NPD3226 Approved
0.7622 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7613 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.761 Intermediate Similarity NPD5403 Approved
0.761 Intermediate Similarity NPD920 Approved
0.7607 Intermediate Similarity NPD5402 Approved
0.7595 Intermediate Similarity NPD5401 Approved
0.7582 Intermediate Similarity NPD3748 Approved
0.758 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7574 Intermediate Similarity NPD3818 Discontinued
0.7566 Intermediate Similarity NPD6651 Approved
0.7561 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD7768 Phase 2
0.7558 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7546 Intermediate Similarity NPD2801 Approved
0.7544 Intermediate Similarity NPD6797 Phase 2
0.7533 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD5844 Phase 1
0.7529 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7251 Discontinued
0.7485 Intermediate Similarity NPD1247 Approved
0.7485 Intermediate Similarity NPD7074 Phase 3
0.7484 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD9545 Approved
0.7466 Intermediate Similarity NPD9717 Approved
0.7465 Intermediate Similarity NPD9493 Approved
0.7457 Intermediate Similarity NPD7808 Phase 3
0.7452 Intermediate Similarity NPD4628 Phase 3
0.7442 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD1465 Phase 2
0.7434 Intermediate Similarity NPD943 Approved
0.7427 Intermediate Similarity NPD7054 Approved
0.7416 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7399 Intermediate Similarity NPD6559 Discontinued
0.7389 Intermediate Similarity NPD2654 Approved
0.7384 Intermediate Similarity NPD7472 Approved
0.7378 Intermediate Similarity NPD37 Approved
0.7342 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD5494 Approved
0.7315 Intermediate Similarity NPD1203 Approved
0.7312 Intermediate Similarity NPD7390 Discontinued
0.7308 Intermediate Similarity NPD6100 Approved
0.7308 Intermediate Similarity NPD6099 Approved
0.7303 Intermediate Similarity NPD411 Approved
0.7284 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD422 Phase 1
0.7273 Intermediate Similarity NPD447 Suspended
0.7267 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7261 Intermediate Similarity NPD1471 Phase 3
0.7261 Intermediate Similarity NPD2344 Approved
0.7261 Intermediate Similarity NPD2346 Discontinued
0.7246 Intermediate Similarity NPD4967 Phase 2
0.7246 Intermediate Similarity NPD4966 Approved
0.7246 Intermediate Similarity NPD4965 Approved
0.7244 Intermediate Similarity NPD7033 Discontinued
0.7244 Intermediate Similarity NPD2799 Discontinued
0.7241 Intermediate Similarity NPD5953 Discontinued
0.723 Intermediate Similarity NPD1608 Approved
0.7193 Intermediate Similarity NPD3926 Phase 2
0.7193 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD3764 Approved
0.719 Intermediate Similarity NPD3268 Approved
0.719 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD7199 Phase 2
0.7168 Intermediate Similarity NPD3751 Discontinued
0.7162 Intermediate Similarity NPD1201 Approved
0.716 Intermediate Similarity NPD6234 Discontinued
0.7159 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4626 Approved
0.7135 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD1283 Approved
0.7126 Intermediate Similarity NPD7286 Phase 2
0.7117 Intermediate Similarity NPD6273 Approved
0.7114 Intermediate Similarity NPD9269 Phase 2
0.7095 Intermediate Similarity NPD8434 Phase 2
0.7091 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD5405 Approved
0.7089 Intermediate Similarity NPD5404 Approved
0.7089 Intermediate Similarity NPD5408 Approved
0.7089 Intermediate Similarity NPD5406 Approved
0.7086 Intermediate Similarity NPD1470 Approved
0.7081 Intermediate Similarity NPD2309 Approved
0.7075 Intermediate Similarity NPD9268 Approved
0.7059 Intermediate Similarity NPD6832 Phase 2
0.7052 Intermediate Similarity NPD2403 Approved
0.7051 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD6355 Discontinued
0.7044 Intermediate Similarity NPD6002 Phase 3
0.7044 Intermediate Similarity NPD6004 Phase 3
0.7044 Intermediate Similarity NPD6005 Phase 3
0.7044 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD1019 Discontinued
0.7039 Intermediate Similarity NPD2798 Approved
0.7035 Intermediate Similarity NPD7229 Phase 3
0.7035 Intermediate Similarity NPD3787 Discontinued
0.7027 Intermediate Similarity NPD17 Approved
0.7021 Intermediate Similarity NPD7435 Discontinued
0.7 Intermediate Similarity NPD8150 Discontinued
0.6994 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6993 Remote Similarity NPD9494 Approved
0.6987 Remote Similarity NPD4060 Phase 1
0.6986 Remote Similarity NPD405 Clinical (unspecified phase)
0.6982 Remote Similarity NPD4288 Approved
0.6974 Remote Similarity NPD1164 Approved
0.6974 Remote Similarity NPD3266 Approved
0.6974 Remote Similarity NPD3267 Approved
0.6973 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6971 Remote Similarity NPD7228 Approved
0.6968 Remote Similarity NPD2313 Discontinued
0.6968 Remote Similarity NPD1296 Phase 2
0.6959 Remote Similarity NPD5691 Approved
0.6952 Remote Similarity NPD6782 Approved
0.6952 Remote Similarity NPD6780 Approved
0.6952 Remote Similarity NPD6777 Approved
0.6952 Remote Similarity NPD6781 Approved
0.6952 Remote Similarity NPD6778 Approved
0.6952 Remote Similarity NPD6779 Approved
0.6952 Remote Similarity NPD6776 Approved
0.6943 Remote Similarity NPD5124 Phase 1
0.6943 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6937 Remote Similarity NPD5763 Approved
0.6937 Remote Similarity NPD5762 Approved
0.6933 Remote Similarity NPD1610 Phase 2
0.6933 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6933 Remote Similarity NPD1281 Approved
0.6928 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6927 Remote Similarity NPD8312 Approved
0.6927 Remote Similarity NPD8313 Approved
0.6927 Remote Similarity NPD8151 Discontinued
0.6923 Remote Similarity NPD4287 Approved
0.6923 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6914 Remote Similarity NPD7003 Approved
0.6913 Remote Similarity NPD1778 Approved
0.691 Remote Similarity NPD3658 Clinical (unspecified phase)
0.6908 Remote Similarity NPD1876 Approved
0.6903 Remote Similarity NPD3027 Phase 3
0.6901 Remote Similarity NPD9266 Approved
0.6901 Remote Similarity NPD74 Approved
0.6886 Remote Similarity NPD7458 Discontinued
0.6879 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6879 Remote Similarity NPD1613 Approved
0.6875 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6871 Remote Similarity NPD6190 Approved
0.6863 Remote Similarity NPD2797 Approved
0.6862 Remote Similarity NPD7501 Clinical (unspecified phase)
0.686 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6859 Remote Similarity NPD6798 Discontinued
0.6842 Remote Similarity NPD7697 Approved
0.6842 Remote Similarity NPD7698 Approved
0.6842 Remote Similarity NPD7696 Phase 3
0.6839 Remote Similarity NPD6808 Phase 2

Structure

External Identifiers

PubChem CID   24900161
ChEMBL   CHEMBL519395
ZINC  

Physicochemical Properties

Molecular Weight:  278.08
ALogP:  -0.8521
MLogP:  2.34
XLogP:  1.071
# Rotatable Bonds:  8
Polar Surface Area:  104.06
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  20

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Biological Activities  
Similar NPs/Drugs