Natural Product: NPC97662

Natural Product ID:  NPC97662
Common Name:   Decaspirone C
IUPAC Name:  
Synonyms:   Decaspirone C
Molecular Formula:   C20H18O5
Standard InCHIKey:  GNGBJYHHQABICI-JUUKFZBDSA-N
Standard InCHI:  InChI=1S/C20H18O5/c21-12-7-8-14(23)19-18(12)13(22)9-10-20(19)24-15-5-1-3-11-4-2-6-16(25-20)17(11)15/h1-6,9-10,12,14,18-19,21,23H,7-8H2/t12-,14+,18-,19+/m0/s1
Canonical SMILES:  O[C@@H]1CC[C@@H]([C@@H]2[C@@H]1C1(C=CC2=O)Oc2cccc3c2c(O1)ccc3)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
NPO2283 Epichloe uncinata Species Clavicipitaceae Eukaryota UNPD*
NPO20809 Sarcophyton trocheliophorum Species Alcyoniidae Eukaryota UNPD*
NPO28371 Echinodontium japonicum Species Echinodontiaceae Eukaryota UNPD*
NPO22325 Caesalpinia sepiaria Species Fabaceae Eukaryota UNPD*
NPO22513 Decaisnella thyridioides Species Massarinaceae Eukaryota UNPD*
NPO21115 Crepidiastrum keiskeanum Species Asteraceae Eukaryota UNPD*
NPO20220 Coccus citri Species Coccidae Eukaryota UNPD*
NPO23179 Penicillium paraherquei Species Aspergillaceae Eukaryota UNPD*
NPO22387 Guettarda speciosa Species Rubiaceae Eukaryota UNPD*
NPO8904 Oreocnide frutescens Species Urticaceae Eukaryota UNPD*
NPO26602 Ranunculus cantoniensis Species Ranunculaceae Eukaryota UNPD*
NPO21512 Salvia cardiophylla Species Lamiaceae Eukaryota UNPD*
NPO20542 Vellozia phalocarpa Species Velloziaceae Eukaryota UNPD*
NPO22585 Thymus striatus Species Lamiaceae Eukaryota UNPD*
NPO27979 Guatteria friesiana Species Annonaceae Eukaryota UNPD*
NPO10812 Beaucarnea hookeri Species Asparagaceae Eukaryota UNPD*
NPO21877 Aplysilla violacea Species Darwinellidae Eukaryota UNPD*
NPO17178 Labisia pumila Species Primulaceae Eukaryota UNPD*
NPO18233 Capparis sepiaria Species Capparaceae Eukaryota UNPD*
NPO22001 Delphinus longirostris Species Delphinidae Eukaryota UNPD*
NPO19400 Cussonia natalensis Species Araliaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 34 mm 17190439
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 28 mm 17190439
NPT185 Organism Aspergillus flavus Aspergillus flavus IZ = 15 mm 17190439
NPT2781 Organism Fusarium moniliforme Gibberella moniliformis IZ = 26 mm 17190439
NPT185 Organism Aspergillus flavus Aspergillus flavus MIC > 25 ug/ml 17190439
NPT2781 Organism Fusarium moniliforme Gibberella moniliformis MIC = 25 ug/ml 17190439
NPT185 Organism Aspergillus flavus Aspergillus flavus Activity = 27 % 17190439

  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 NPC97662 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
0.964 High Similarity NPC197461
0.9571 High Similarity NPC257404
0.95 High Similarity NPC133585
0.9371 High Similarity NPC11800
0.9371 High Similarity NPC206579
0.9034 High Similarity NPC47152
0.8904 High Similarity NPC473951
0.8844 High Similarity NPC301949
0.8836 High Similarity NPC306816
0.8726 High Similarity NPC472150
0.8714 High Similarity NPC284232
0.8701 High Similarity NPC472156
0.869 High Similarity NPC473499
0.8671 High Similarity NPC92932
0.8649 High Similarity NPC469408
0.8608 High Similarity NPC175082
0.8592 High Similarity NPC138940
0.859 High Similarity NPC73148
0.8493 Intermediate Similarity NPC193920
0.8471 Intermediate Similarity NPC472153
0.8462 Intermediate Similarity NPC193749
0.8385 Intermediate Similarity NPC472152
0.8365 Intermediate Similarity NPC120677
0.8365 Intermediate Similarity NPC74371
0.8344 Intermediate Similarity NPC183402
0.8333 Intermediate Similarity NPC469507
0.8323 Intermediate Similarity NPC103633
0.8313 Intermediate Similarity NPC75944
0.8313 Intermediate Similarity NPC297404
0.8313 Intermediate Similarity NPC11608
0.8299 Intermediate Similarity NPC472151
0.8269 Intermediate Similarity NPC57141
0.8232 Intermediate Similarity NPC85368
0.8187 Intermediate Similarity NPC278329
0.8187 Intermediate Similarity NPC101116
0.8187 Intermediate Similarity NPC146837
0.8187 Intermediate Similarity NPC212099
0.8165 Intermediate Similarity NPC177742
0.816 Intermediate Similarity NPC222455
0.8153 Intermediate Similarity NPC267242
0.8141 Intermediate Similarity NPC474843
0.8129 Intermediate Similarity NPC475890
0.8113 Intermediate Similarity NPC231475
0.8113 Intermediate Similarity NPC57072
0.8113 Intermediate Similarity NPC186113
0.8098 Intermediate Similarity NPC63470
0.8092 Intermediate Similarity NPC472154
0.8089 Intermediate Similarity NPC279281
0.8089 Intermediate Similarity NPC92153
0.8089 Intermediate Similarity NPC230439
0.8089 Intermediate Similarity NPC60084
0.8089 Intermediate Similarity NPC299761
0.8089 Intermediate Similarity NPC185103
0.8086 Intermediate Similarity NPC280923
0.8086 Intermediate Similarity NPC178281
0.8077 Intermediate Similarity NPC39819
0.8075 Intermediate Similarity NPC216752
0.8072 Intermediate Similarity NPC3718
0.8067 Intermediate Similarity NPC477537
0.8063 Intermediate Similarity NPC292863
0.8063 Intermediate Similarity NPC184326
0.8052 Intermediate Similarity NPC472339
0.805 Intermediate Similarity NPC476026
0.805 Intermediate Similarity NPC474441
0.805 Intermediate Similarity NPC474401
0.805 Intermediate Similarity NPC474398
0.8049 Intermediate Similarity NPC137460
0.8049 Intermediate Similarity NPC246274
0.8039 Intermediate Similarity NPC288531
0.8038 Intermediate Similarity NPC3898
0.8036 Intermediate Similarity NPC277710
0.8036 Intermediate Similarity NPC114257
0.8036 Intermediate Similarity NPC153578
0.8036 Intermediate Similarity NPC299149
0.8026 Intermediate Similarity NPC472155
0.8025 Intermediate Similarity NPC17432
0.8025 Intermediate Similarity NPC281272
0.8025 Intermediate Similarity NPC290160
0.8025 Intermediate Similarity NPC127415
0.8025 Intermediate Similarity NPC475183
0.8024 Intermediate Similarity NPC102053
0.8024 Intermediate Similarity NPC475246
0.8013 Intermediate Similarity NPC93619
0.8012 Intermediate Similarity NPC203751
0.8012 Intermediate Similarity NPC18380
0.8012 Intermediate Similarity NPC137232
0.8012 Intermediate Similarity NPC472157
0.8 Intermediate Similarity NPC106328
0.8 Intermediate Similarity NPC474107
0.8 Intermediate Similarity NPC226287
0.8 Intermediate Similarity NPC35150
0.8 Intermediate Similarity NPC146388
0.8 Intermediate Similarity NPC195167
0.7987 Intermediate Similarity NPC211565
0.7987 Intermediate Similarity NPC164244
0.7975 Intermediate Similarity NPC135522
0.7975 Intermediate Similarity NPC474591
0.7974 Intermediate Similarity NPC173630
0.7964 Intermediate Similarity NPC186800
0.7964 Intermediate Similarity NPC470667
0.7963 Intermediate Similarity NPC56735
0.7963 Intermediate Similarity NPC61594
0.7963 Intermediate Similarity NPC473961
0.7952 Intermediate Similarity NPC315619
0.7952 Intermediate Similarity NPC30432
0.7952 Intermediate Similarity NPC271385
0.7952 Intermediate Similarity NPC76128
0.7952 Intermediate Similarity NPC111536
0.7952 Intermediate Similarity NPC5029
0.795 Intermediate Similarity NPC472618
0.795 Intermediate Similarity NPC271479
0.795 Intermediate Similarity NPC328093
0.7949 Intermediate Similarity NPC146014
0.7947 Intermediate Similarity NPC477535
0.7945 Intermediate Similarity NPC141549
0.7937 Intermediate Similarity NPC67197
0.7935 Intermediate Similarity NPC113428
0.7935 Intermediate Similarity NPC92054
0.7935 Intermediate Similarity NPC71055
0.7935 Intermediate Similarity NPC61284
0.7935 Intermediate Similarity NPC140722
0.7935 Intermediate Similarity NPC478163
0.7935 Intermediate Similarity NPC4958
0.7929 Intermediate Similarity NPC58538
0.7927 Intermediate Similarity NPC475174
0.7927 Intermediate Similarity NPC178173
0.7917 Intermediate Similarity NPC272656
0.7917 Intermediate Similarity NPC470841
0.7917 Intermediate Similarity NPC170018
0.7917 Intermediate Similarity NPC66820
0.7917 Intermediate Similarity NPC289876
0.7917 Intermediate Similarity NPC92403
0.7917 Intermediate Similarity NPC46958
0.7917 Intermediate Similarity NPC76112
0.7914 Intermediate Similarity NPC147596
0.7911 Intermediate Similarity NPC215811
0.7908 Intermediate Similarity NPC151704
0.7905 Intermediate Similarity NPC477210
0.7901 Intermediate Similarity NPC175513
0.7901 Intermediate Similarity NPC132737
0.7898 Intermediate Similarity NPC473966
0.7898 Intermediate Similarity NPC131874
0.7895 Intermediate Similarity NPC231254
0.7895 Intermediate Similarity NPC145673
0.7895 Intermediate Similarity NPC149780
0.7892 Intermediate Similarity NPC280385
0.7888 Intermediate Similarity NPC308265
0.7885 Intermediate Similarity NPC22137
0.7885 Intermediate Similarity NPC191634
0.7882 Intermediate Similarity NPC477860
0.7882 Intermediate Similarity NPC475161
0.7881 Intermediate Similarity NPC18457
0.7879 Intermediate Similarity NPC472660
0.7879 Intermediate Similarity NPC135345
0.7877 Intermediate Similarity NPC7569
0.7877 Intermediate Similarity NPC278787
0.7875 Intermediate Similarity NPC261866
0.7875 Intermediate Similarity NPC309648
0.7875 Intermediate Similarity NPC45165
0.7871 Intermediate Similarity NPC60389
0.7871 Intermediate Similarity NPC308799
0.7871 Intermediate Similarity NPC300540
0.7871 Intermediate Similarity NPC469758
0.7871 Intermediate Similarity NPC299011
0.7866 Intermediate Similarity NPC99216
0.7862 Intermediate Similarity NPC260604
0.7862 Intermediate Similarity NPC299435
0.7857 Intermediate Similarity NPC68381
0.7857 Intermediate Similarity NPC271076
0.7857 Intermediate Similarity NPC146803
0.7857 Intermediate Similarity NPC307754
0.7857 Intermediate Similarity NPC223735
0.7853 Intermediate Similarity NPC22324
0.7853 Intermediate Similarity NPC477528
0.7849 Intermediate Similarity NPC87583
0.7848 Intermediate Similarity NPC46564
0.7848 Intermediate Similarity NPC207346
0.7844 Intermediate Similarity NPC478002
0.7844 Intermediate Similarity NPC475155
0.7843 Intermediate Similarity NPC329493
0.7838 Intermediate Similarity NPC470871
0.7831 Intermediate Similarity NPC470207
0.7831 Intermediate Similarity NPC61791
0.7831 Intermediate Similarity NPC470206
0.7831 Intermediate Similarity NPC259905
0.7826 Intermediate Similarity NPC197896
0.7826 Intermediate Similarity NPC258035
0.7826 Intermediate Similarity NPC156457
0.7826 Intermediate Similarity NPC313163
0.7826 Intermediate Similarity NPC477833
0.7826 Intermediate Similarity NPC161749
0.7821 Intermediate Similarity NPC478018
0.7821 Intermediate Similarity NPC17101
0.7821 Intermediate Similarity NPC83975
0.7821 Intermediate Similarity NPC77903
0.7818 Intermediate Similarity NPC178851
0.7818 Intermediate Similarity NPC70441
0.7818 Intermediate Similarity NPC251336
0.7815 Intermediate Similarity NPC265335
0.7812 Intermediate Similarity NPC478161

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC97662 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
0.8553 High Similarity NPD3751 Discontinued
0.8418 Intermediate Similarity NPD3787 Discontinued
0.8182 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7933 Intermediate Similarity NPD2346 Discontinued
0.7917 Intermediate Similarity NPD8312 Approved
0.7917 Intermediate Similarity NPD8313 Approved
0.7826 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7812 Intermediate Similarity NPD5402 Approved
0.7806 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.775 Intermediate Similarity NPD7819 Suspended
0.7724 Intermediate Similarity NPD2798 Approved
0.7688 Intermediate Similarity NPD6844 Discontinued
0.7683 Intermediate Similarity NPD6959 Discontinued
0.7662 Intermediate Similarity NPD3750 Approved
0.7655 Intermediate Similarity NPD2797 Approved
0.7635 Intermediate Similarity NPD3268 Approved
0.7635 Intermediate Similarity NPD2313 Discontinued
0.7622 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD7054 Approved
0.7619 Intermediate Similarity NPD5844 Phase 1
0.7574 Intermediate Similarity NPD7472 Approved
0.7574 Intermediate Similarity NPD7074 Phase 3
0.7566 Intermediate Similarity NPD3748 Approved
0.7566 Intermediate Similarity NPD2799 Discontinued
0.756 Intermediate Similarity NPD3818 Discontinued
0.7544 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7532 Intermediate Similarity NPD1549 Phase 2
0.7532 Intermediate Similarity NPD6273 Approved
0.7531 Intermediate Similarity NPD8455 Phase 2
0.7529 Intermediate Similarity NPD6797 Phase 2
0.7516 Intermediate Similarity NPD2935 Discontinued
0.7515 Intermediate Similarity NPD5494 Approved
0.75 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3226 Approved
0.75 Intermediate Similarity NPD3749 Approved
0.75 Intermediate Similarity NPD6832 Phase 2
0.7485 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD6559 Discontinued
0.7485 Intermediate Similarity NPD7251 Discontinued
0.7484 Intermediate Similarity NPD5403 Approved
0.7483 Intermediate Similarity NPD1933 Approved
0.7483 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7469 Intermediate Similarity NPD37 Approved
0.7468 Intermediate Similarity NPD5401 Approved
0.7468 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD4380 Phase 2
0.7442 Intermediate Similarity NPD7808 Phase 3
0.744 Intermediate Similarity NPD6166 Phase 2
0.744 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.744 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD4965 Approved
0.7439 Intermediate Similarity NPD4966 Approved
0.7439 Intermediate Similarity NPD4967 Phase 2
0.7439 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7415 Intermediate Similarity NPD3266 Approved
0.7415 Intermediate Similarity NPD3267 Approved
0.7415 Intermediate Similarity NPD1203 Approved
0.7412 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD7411 Suspended
0.7403 Intermediate Similarity NPD2796 Approved
0.7386 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD7097 Phase 1
0.7365 Intermediate Similarity NPD7199 Phase 2
0.7362 Intermediate Similarity NPD1934 Approved
0.7355 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD7228 Approved
0.7351 Intermediate Similarity NPD6233 Phase 2
0.7337 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD7768 Phase 2
0.7325 Intermediate Similarity NPD7003 Approved
0.7317 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD2801 Approved
0.729 Intermediate Similarity NPD6100 Approved
0.729 Intermediate Similarity NPD6099 Approved
0.729 Intermediate Similarity NPD1551 Phase 2
0.7285 Intermediate Similarity NPD6798 Discontinued
0.7285 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7284 Intermediate Similarity NPD7458 Discontinued
0.7267 Intermediate Similarity NPD4908 Phase 1
0.7255 Intermediate Similarity NPD6355 Discontinued
0.7255 Intermediate Similarity NPD447 Suspended
0.725 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD6234 Discontinued
0.723 Intermediate Similarity NPD3225 Approved
0.7226 Intermediate Similarity NPD7033 Discontinued
0.7226 Intermediate Similarity NPD1510 Phase 2
0.7225 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD7229 Phase 3
0.7213 Intermediate Similarity NPD6779 Approved
0.7213 Intermediate Similarity NPD6777 Approved
0.7213 Intermediate Similarity NPD6780 Approved
0.7213 Intermediate Similarity NPD6781 Approved
0.7213 Intermediate Similarity NPD6776 Approved
0.7213 Intermediate Similarity NPD6778 Approved
0.7213 Intermediate Similarity NPD6782 Approved
0.7211 Intermediate Similarity NPD9717 Approved
0.72 Intermediate Similarity NPD2861 Phase 2
0.7197 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD7473 Discontinued
0.7192 Intermediate Similarity NPD3496 Discontinued
0.7188 Intermediate Similarity NPD1511 Approved
0.7188 Intermediate Similarity NPD6799 Approved
0.7186 Intermediate Similarity NPD7075 Discontinued
0.7184 Intermediate Similarity NPD7240 Approved
0.7176 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7175 Intermediate Similarity NPD8150 Discontinued
0.7172 Intermediate Similarity NPD5585 Approved
0.7171 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD3817 Phase 2
0.7152 Intermediate Similarity NPD6674 Discontinued
0.7152 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1091 Approved
0.7135 Intermediate Similarity NPD6823 Phase 2
0.7134 Intermediate Similarity NPD2344 Approved
0.7133 Intermediate Similarity NPD5647 Approved
0.7126 Intermediate Similarity NPD3882 Suspended
0.7119 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD6232 Discontinued
0.7117 Intermediate Similarity NPD1653 Approved
0.7115 Intermediate Similarity NPD4308 Phase 3
0.7114 Intermediate Similarity NPD1283 Approved
0.7113 Intermediate Similarity NPD1241 Discontinued
0.7108 Intermediate Similarity NPD1465 Phase 2
0.7105 Intermediate Similarity NPD4625 Phase 3
0.7099 Intermediate Similarity NPD1512 Approved
0.7097 Intermediate Similarity NPD7435 Discontinued
0.7097 Intermediate Similarity NPD7698 Approved
0.7097 Intermediate Similarity NPD7697 Approved
0.7097 Intermediate Similarity NPD7696 Phase 3
0.7095 Intermediate Similarity NPD1608 Approved
0.7089 Intermediate Similarity NPD2424 Discontinued
0.7078 Intermediate Similarity NPD2979 Phase 3
0.7078 Intermediate Similarity NPD4060 Phase 1
0.7078 Intermediate Similarity NPD4140 Approved
0.7073 Intermediate Similarity NPD2649 Approved
0.7073 Intermediate Similarity NPD2651 Approved
0.7067 Intermediate Similarity NPD1470 Approved
0.7059 Intermediate Similarity NPD7871 Phase 2
0.7059 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD8127 Discontinued
0.7059 Intermediate Similarity NPD7870 Phase 2
0.7059 Intermediate Similarity NPD411 Approved
0.7055 Intermediate Similarity NPD7427 Discontinued
0.7055 Intermediate Similarity NPD1651 Approved
0.7048 Intermediate Similarity NPD6801 Discontinued
0.7032 Intermediate Similarity NPD4622 Approved
0.7032 Intermediate Similarity NPD4618 Approved
0.703 Intermediate Similarity NPD6599 Discontinued
0.7027 Intermediate Similarity NPD1610 Phase 2
0.7027 Intermediate Similarity NPD1611 Approved
0.702 Intermediate Similarity NPD1019 Discontinued
0.7016 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD7783 Phase 2
0.7013 Intermediate Similarity NPD8032 Phase 2
0.7 Intermediate Similarity NPD4628 Phase 3
0.7 Intermediate Similarity NPD8166 Discontinued
0.6988 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6987 Remote Similarity NPD6653 Approved
0.6986 Remote Similarity NPD1894 Discontinued
0.6981 Remote Similarity NPD2897 Discontinued
0.6978 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6978 Remote Similarity NPD6213 Phase 3
0.6978 Remote Similarity NPD6212 Phase 3
0.6968 Remote Similarity NPD1613 Approved
0.6968 Remote Similarity NPD1240 Approved
0.6968 Remote Similarity NPD4307 Phase 2
0.6968 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6966 Remote Similarity NPD405 Clinical (unspecified phase)
0.6962 Remote Similarity NPD4476 Approved
0.6962 Remote Similarity NPD2438 Suspended
0.6962 Remote Similarity NPD5408 Approved
0.6962 Remote Similarity NPD4477 Approved
0.6962 Remote Similarity NPD5404 Approved
0.6962 Remote Similarity NPD5406 Approved
0.6962 Remote Similarity NPD5405 Approved
0.6962 Remote Similarity NPD6032 Approved
0.6957 Remote Similarity NPD2309 Approved
0.6948 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6947 Remote Similarity NPD7701 Phase 2
0.6943 Remote Similarity NPD5688 Approved
0.6943 Remote Similarity NPD5689 Approved
0.694 Remote Similarity NPD6534 Approved
0.694 Remote Similarity NPD6535 Approved
0.6937 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6933 Remote Similarity NPD4359 Approved
0.6933 Remote Similarity NPD2532 Approved
0.6933 Remote Similarity NPD2534 Approved
0.6933 Remote Similarity NPD4749 Approved
0.6933 Remote Similarity NPD2533 Approved
0.6928 Remote Similarity NPD7028 Phase 2
0.6927 Remote Similarity NPD7801 Approved
0.6923 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5124 Phase 1
0.6918 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6918 Remote Similarity NPD6005 Phase 3

Structure

External Identifiers

PubChem CID   16099376
ChEMBL   CHEMBL465142
ZINC  

Physicochemical Properties

Molecular Weight:  338.12
ALogP:  -2.2391
MLogP:  3.11
XLogP:  2.212
# Rotatable Bonds:  2
Polar Surface Area:  75.99
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  25

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs