Natural Product: NPC150978

Natural Product ID:  NPC150978
Common Name:   Angustibalin
IUPAC Name:   [(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate
Synonyms:   6-O-Acetylhelenalin; Angustibalin
Molecular Formula:   C17H20O5
Standard InCHIKey:  DCNRYQODUSSOKC-HKHYKUHTSA-N
Standard InCHI:  InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12-,14-,15+,17+/m1/s1
Canonical SMILES:  CC(=O)O[C@H]1[C@H]2[C@H](OC(=O)C2=C)C[C@H]([C@H]2[C@@]1(C)C(=O)C=C2)C
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
NPO12107 Arnica montana Species Asteraceae Eukaryota PMID[23501116]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 819.9 nM 6988589
NPT1197 Individual Protein Huntingtin Homo sapiens Potency = 3548.1 nM PubChem BioAssay data set
NPT477 Individual Protein DNA dC->dU-editing enzyme APOBEC-3G Homo sapiens Potency 1995.3 nM 7731021
NPT2 Others Unspecified Potency 354.8 nM 10.1007/s00044-011-9842-7
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 44668.4 nM 10.1007/s00044-011-9882-z
NPT2 Others Unspecified IC50 = 1300 nM Open TG-GATES in vivo data: Hematology
NPT5114 Individual Protein Beta-galactosidase Escherichia coli EC50 > 40000 nM 8277308
NPT2 Others Unspecified Potency 11220.2 nM 15921421
NPT282 Individual Protein MAP kinase ERK2 Homo sapiens Potency = 31622.8 nM 24224794
NPT10 Individual Protein Geminin Homo sapiens Potency 819.9 nM 12027740
NPT2 Others Unspecified IC50 = 7340 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 6513.1 nM 18723353
NPT65 Cell Line HepG2 Homo sapiens Potency 2511.9 nM 10.6019/CHEMBL1201861
NPT2 Others Unspecified IC50 = 2066 nM 20655237
NPT10 Individual Protein Geminin Homo sapiens Potency 1158.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3162.3 nM 12350153
NPT2 Others Unspecified Potency 9200 nM 17067151
NPT536 Uncleic Acid microRNA 21 Homo sapiens Potency = 1309.2 nM 25237727
NPT2 Others Unspecified IC50 = 220 nM 19344127
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae Potency = 15848.9 nM 18212109
NPT15 Cell Line Jurkat Homo sapiens IC50 = 990 nM 20547812
NPT2 Others Unspecified Potency 651.3 nM 19015330
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 56234.1 nM 19332670
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 3162.3 nM 10.1007/s00044-009-9214-8
NPT2 Others Unspecified Potency 4610.9 nM 10.1007/s00044-013-0484-9
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 8912.5 nM 23318903
NPT535 Individual Protein Parathyroid hormone receptor Homo sapiens Potency 7079.5 nM 23357308
NPT840 Individual Protein Transcriptional activator Myb Gallus gallus IC50 = 706.32 nM DrugMatrix in vivo data: Hematology
NPT2 Others Unspecified Potency 2238.7 nM 26241103
NPT9 Individual Protein DNA polymerase eta Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT537 Individual Protein Ras-related protein Rab-9A Homo sapiens Potency = 1000 nM 10.6019/CHEMBL1201861
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 4109.5 nM 10.6019/CHEMBL1201861
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 2936.2 nM 14575438
NPT2893 Individual Protein DNA damage-inducible transcript 3 protein Mus musculus IC50 = 2480 nM 15084135
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 1258.9 nM 17672504
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 6513.1 nM Open TG-GATES in vivo data: Pathology
NPT538 Individual Protein Niemann-Pick C1 protein Homo sapiens Potency = 631 nM 24689881
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 4466.8 nM 19650641
NPT536 Uncleic Acid microRNA 21 Homo sapiens Potency = 1309.2 nM 16872140
NPT2 Others Unspecified Potency 7943.3 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 2078.7 nM 18512900
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 1258.9 nM 20086162
NPT2 Others Unspecified Potency 1412.5 nM 23398362
NPT2 Others Unspecified ED50 = 0.29 ug/ml 19006372
NPT2 Others Unspecified IC50 > 80000 nM 21856049
NPT4120 Individual Protein G-protein coupled receptor 55 Homo sapiens IC50 = 4494.35 nM 24095094
NPT4358 Individual Protein Type-1 angiotensin II receptor Homo sapiens IC50 = 21974 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 3981.1 nM 10.1007/s00044-011-9729-7
NPT840 Individual Protein Transcriptional activator Myb Gallus gallus IC50 = 710 nM DrugMatrix in vitro pharmacology data
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2818.4 nM 16643028
NPT2892 Individual Protein X-box-binding protein 1 Homo sapiens IC50 = 2200 nM 18077425
NPT1397 Cell Line INS1 Rattus norvegicus AC50 = 2132 nM 18077425
NPT1283 Individual Protein Paired box protein Pax-8 Homo sapiens AC50 = 742 nM 22037378
NPT2 Others Unspecified IC50 > 80000 nM 19534474
NPT3728 Individual Protein p53-binding protein Mdm-2 Homo sapiens EC50 = 7680 nM DrugMatrix in vitro pharmacology data
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 707.9 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 5171.4 nM DrugMatrix in vitro pharmacology data
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 56234.1 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified Potency 1584.9 nM DrugMatrix in vivo data: Hematology
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 3162.3 nM 26090896
NPT2 Others Unspecified IC50 > 80000 nM 11881984

  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 NPC150978 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
1.0 High Similarity NPC123177
1.0 High Similarity NPC70595
1.0 High Similarity NPC74103
0.9882 High Similarity NPC253144
0.9767 High Similarity NPC284185
0.9444 High Similarity NPC169205
0.9438 High Similarity NPC48803
0.9438 High Similarity NPC90121
0.9438 High Similarity NPC275960
0.9438 High Similarity NPC193645
0.9412 High Similarity NPC70422
0.9412 High Similarity NPC104961
0.9412 High Similarity NPC70555
0.9341 High Similarity NPC54843
0.9341 High Similarity NPC141191
0.9333 High Similarity NPC185553
0.9294 High Similarity NPC21471
0.9294 High Similarity NPC33570
0.9294 High Similarity NPC161957
0.9059 High Similarity NPC39588
0.8966 High Similarity NPC238593
0.8901 High Similarity NPC167219
0.8876 High Similarity NPC52198
0.8876 High Similarity NPC117405
0.8854 High Similarity NPC203659
0.8842 High Similarity NPC225353
0.8837 High Similarity NPC215294
0.875 High Similarity NPC107787
0.875 High Similarity NPC110989
0.8736 High Similarity NPC115786
0.8706 High Similarity NPC223904
0.8696 High Similarity NPC289004
0.8681 High Similarity NPC111114
0.8681 High Similarity NPC261607
0.8681 High Similarity NPC300312
0.8636 High Similarity NPC78089
0.8621 High Similarity NPC54468
0.8488 Intermediate Similarity NPC69271
0.8488 Intermediate Similarity NPC74673
0.8478 Intermediate Similarity NPC286341
0.8478 Intermediate Similarity NPC191339
0.8462 Intermediate Similarity NPC12872
0.8462 Intermediate Similarity NPC168679
0.8391 Intermediate Similarity NPC35089
0.8391 Intermediate Similarity NPC281949
0.8391 Intermediate Similarity NPC39411
0.8391 Intermediate Similarity NPC10276
0.8391 Intermediate Similarity NPC255580
0.8391 Intermediate Similarity NPC25684
0.8391 Intermediate Similarity NPC301477
0.837 Intermediate Similarity NPC62815
0.8351 Intermediate Similarity NPC171759
0.8276 Intermediate Similarity NPC302426
0.8276 Intermediate Similarity NPC293418
0.8276 Intermediate Similarity NPC290508
0.8276 Intermediate Similarity NPC73052
0.8276 Intermediate Similarity NPC6823
0.8276 Intermediate Similarity NPC276356
0.8265 Intermediate Similarity NPC474747
0.8229 Intermediate Similarity NPC213947
0.8229 Intermediate Similarity NPC108475
0.8229 Intermediate Similarity NPC170143
0.8211 Intermediate Similarity NPC304886
0.8191 Intermediate Similarity NPC135776
0.8182 Intermediate Similarity NPC475945
0.8182 Intermediate Similarity NPC475871
0.8172 Intermediate Similarity NPC129419
0.8163 Intermediate Similarity NPC474742
0.8163 Intermediate Similarity NPC477950
0.8152 Intermediate Similarity NPC475906
0.8152 Intermediate Similarity NPC469628
0.8152 Intermediate Similarity NPC469631
0.8152 Intermediate Similarity NPC469653
0.8152 Intermediate Similarity NPC471047
0.814 Intermediate Similarity NPC476794
0.814 Intermediate Similarity NPC470240
0.8125 Intermediate Similarity NPC142529
0.8125 Intermediate Similarity NPC91771
0.8105 Intermediate Similarity NPC140543
0.8105 Intermediate Similarity NPC477131
0.8105 Intermediate Similarity NPC476267
0.81 Intermediate Similarity NPC474741
0.809 Intermediate Similarity NPC173609
0.8085 Intermediate Similarity NPC133698
0.8065 Intermediate Similarity NPC268298
0.8043 Intermediate Similarity NPC478144
0.8043 Intermediate Similarity NPC201658
0.8021 Intermediate Similarity NPC474490
0.8 Intermediate Similarity NPC473234
0.8 Intermediate Similarity NPC60386
0.8 Intermediate Similarity NPC318468
0.8 Intermediate Similarity NPC473263
0.8 Intermediate Similarity NPC473273
0.8 Intermediate Similarity NPC475873
0.8 Intermediate Similarity NPC153590
0.8 Intermediate Similarity NPC475947
0.8 Intermediate Similarity NPC308656
0.7978 Intermediate Similarity NPC471325
0.7978 Intermediate Similarity NPC141810
0.7957 Intermediate Similarity NPC475902
0.7955 Intermediate Similarity NPC63649
0.7955 Intermediate Similarity NPC270126
0.7955 Intermediate Similarity NPC469620
0.7955 Intermediate Similarity NPC182550
0.7955 Intermediate Similarity NPC617
0.7955 Intermediate Similarity NPC469690
0.7955 Intermediate Similarity NPC264227
0.7955 Intermediate Similarity NPC178277
0.7955 Intermediate Similarity NPC472965
0.7938 Intermediate Similarity NPC126156
0.7935 Intermediate Similarity NPC284902
0.7935 Intermediate Similarity NPC309757
0.7935 Intermediate Similarity NPC304558
0.7935 Intermediate Similarity NPC236692
0.7935 Intermediate Similarity NPC64153
0.7931 Intermediate Similarity NPC195785
0.7931 Intermediate Similarity NPC65603
0.7931 Intermediate Similarity NPC208223
0.7931 Intermediate Similarity NPC15975
0.7921 Intermediate Similarity NPC309190
0.7921 Intermediate Similarity NPC100487
0.7917 Intermediate Similarity NPC198853
0.7917 Intermediate Similarity NPC148463
0.7912 Intermediate Similarity NPC165287
0.7907 Intermediate Similarity NPC138408
0.7907 Intermediate Similarity NPC226669
0.7907 Intermediate Similarity NPC193351
0.7895 Intermediate Similarity NPC20713
0.7895 Intermediate Similarity NPC221282
0.7895 Intermediate Similarity NPC131209
0.7872 Intermediate Similarity NPC166919
0.7872 Intermediate Similarity NPC32922
0.7872 Intermediate Similarity NPC4986
0.7849 Intermediate Similarity NPC24728
0.7849 Intermediate Similarity NPC72513
0.7849 Intermediate Similarity NPC475703
0.7849 Intermediate Similarity NPC237540
0.7849 Intermediate Similarity NPC478145
0.7843 Intermediate Similarity NPC291643
0.7841 Intermediate Similarity NPC472960
0.7841 Intermediate Similarity NPC128276
0.783 Intermediate Similarity NPC209058
0.7826 Intermediate Similarity NPC125290
0.7826 Intermediate Similarity NPC165162
0.7826 Intermediate Similarity NPC110405
0.7826 Intermediate Similarity NPC155873
0.7816 Intermediate Similarity NPC123360
0.7812 Intermediate Similarity NPC475302
0.7812 Intermediate Similarity NPC200237
0.7802 Intermediate Similarity NPC272814
0.7802 Intermediate Similarity NPC474703
0.78 Intermediate Similarity NPC128733
0.78 Intermediate Similarity NPC185141
0.78 Intermediate Similarity NPC110443
0.78 Intermediate Similarity NPC46998
0.78 Intermediate Similarity NPC472753
0.78 Intermediate Similarity NPC47880
0.78 Intermediate Similarity NPC133907
0.7791 Intermediate Similarity NPC476355
0.7789 Intermediate Similarity NPC152467
0.7789 Intermediate Similarity NPC71533
0.7789 Intermediate Similarity NPC469368
0.7789 Intermediate Similarity NPC106510
0.7789 Intermediate Similarity NPC312042
0.7778 Intermediate Similarity NPC47635
0.7778 Intermediate Similarity NPC208233
0.7778 Intermediate Similarity NPC42470
0.7766 Intermediate Similarity NPC226863
0.7766 Intermediate Similarity NPC215831
0.7766 Intermediate Similarity NPC471149
0.7766 Intermediate Similarity NPC476805
0.7755 Intermediate Similarity NPC18019
0.7755 Intermediate Similarity NPC24956
0.7755 Intermediate Similarity NPC476275
0.7742 Intermediate Similarity NPC150755
0.7742 Intermediate Similarity NPC475461
0.7742 Intermediate Similarity NPC38576
0.7742 Intermediate Similarity NPC305475
0.7742 Intermediate Similarity NPC279859
0.7732 Intermediate Similarity NPC473316
0.7732 Intermediate Similarity NPC323008
0.7732 Intermediate Similarity NPC470010
0.7732 Intermediate Similarity NPC477130
0.7732 Intermediate Similarity NPC262133
0.7732 Intermediate Similarity NPC473330
0.7732 Intermediate Similarity NPC469632
0.7732 Intermediate Similarity NPC473331
0.7732 Intermediate Similarity NPC470013
0.7732 Intermediate Similarity NPC477129
0.7732 Intermediate Similarity NPC470697
0.7727 Intermediate Similarity NPC141789
0.7727 Intermediate Similarity NPC57744
0.7727 Intermediate Similarity NPC122264
0.7727 Intermediate Similarity NPC97516
0.7727 Intermediate Similarity NPC474760
0.7727 Intermediate Similarity NPC476028
0.7727 Intermediate Similarity NPC171204
0.7723 Intermediate Similarity NPC149371
0.7723 Intermediate Similarity NPC472754
0.7717 Intermediate Similarity NPC38569

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC150978 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
0.9438 High Similarity NPD1698 Clinical (unspecified phase)
0.7872 Intermediate Similarity NPD1695 Approved
0.7692 Intermediate Similarity NPD5209 Approved
0.7634 Intermediate Similarity NPD1694 Approved
0.7604 Intermediate Similarity NPD5785 Approved
0.7596 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD5282 Discontinued
0.7547 Intermediate Similarity NPD6371 Approved
0.7312 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD1733 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD4225 Approved
0.7083 Intermediate Similarity NPD5363 Approved
0.701 Intermediate Similarity NPD5786 Approved
0.7 Intermediate Similarity NPD6411 Approved
0.6947 Remote Similarity NPD6435 Approved
0.6852 Remote Similarity NPD6008 Approved
0.6842 Remote Similarity NPD5369 Approved
0.68 Remote Similarity NPD6101 Approved
0.68 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6771 Remote Similarity NPD4269 Approved
0.6771 Remote Similarity NPD4270 Approved
0.6765 Remote Similarity NPD5779 Approved
0.6765 Remote Similarity NPD5778 Approved
0.6737 Remote Similarity NPD5368 Approved
0.6701 Remote Similarity NPD7154 Phase 3
0.6701 Remote Similarity NPD5362 Discontinued
0.67 Remote Similarity NPD6903 Approved
0.6696 Remote Similarity NPD7115 Discovery
0.6667 Remote Similarity NPD7146 Approved
0.6667 Remote Similarity NPD6684 Approved
0.6667 Remote Similarity NPD7521 Approved
0.6667 Remote Similarity NPD5330 Approved
0.6667 Remote Similarity NPD7983 Approved
0.6667 Remote Similarity NPD7334 Approved
0.6667 Remote Similarity NPD6409 Approved
0.6636 Remote Similarity NPD5697 Approved
0.6602 Remote Similarity NPD6399 Phase 3
0.66 Remote Similarity NPD3573 Approved
0.6577 Remote Similarity NPD6899 Approved
0.6577 Remote Similarity NPD6881 Approved
0.6569 Remote Similarity NPD6698 Approved
0.6569 Remote Similarity NPD5207 Approved
0.6569 Remote Similarity NPD46 Approved
0.6562 Remote Similarity NPD4252 Approved
0.6559 Remote Similarity NPD8039 Approved
0.6549 Remote Similarity NPD6650 Approved
0.6549 Remote Similarity NPD6649 Approved
0.6538 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6538 Remote Similarity NPD7900 Approved
0.6535 Remote Similarity NPD5737 Approved
0.6535 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6535 Remote Similarity NPD6672 Approved
0.6526 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6518 Remote Similarity NPD6014 Approved
0.6518 Remote Similarity NPD6013 Approved
0.6518 Remote Similarity NPD6012 Approved
0.6505 Remote Similarity NPD5693 Phase 1
0.6491 Remote Similarity NPD6053 Discontinued
0.6476 Remote Similarity NPD6356 Clinical (unspecified phase)
0.646 Remote Similarity NPD7290 Approved
0.646 Remote Similarity NPD7102 Approved
0.646 Remote Similarity NPD6883 Approved
0.6429 Remote Similarity NPD7320 Approved
0.6429 Remote Similarity NPD6011 Approved
0.6429 Remote Similarity NPD6686 Approved
0.6408 Remote Similarity NPD7838 Discovery
0.6404 Remote Similarity NPD8130 Phase 1
0.6404 Remote Similarity NPD6847 Approved
0.6404 Remote Similarity NPD6869 Approved
0.6404 Remote Similarity NPD6617 Approved
0.64 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6396 Remote Similarity NPD6402 Approved
0.6396 Remote Similarity NPD5739 Approved
0.6396 Remote Similarity NPD6675 Approved
0.6396 Remote Similarity NPD7128 Approved
0.6392 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6372 Remote Similarity NPD6373 Approved
0.6372 Remote Similarity NPD6372 Approved
0.6355 Remote Similarity NPD7902 Approved
0.6348 Remote Similarity NPD8297 Approved
0.6348 Remote Similarity NPD6882 Approved
0.6339 Remote Similarity NPD5701 Approved
0.6337 Remote Similarity NPD4249 Approved
0.6321 Remote Similarity NPD5695 Phase 3
0.6311 Remote Similarity NPD7492 Approved
0.6296 Remote Similarity NPD5696 Approved
0.6292 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6275 Remote Similarity NPD4250 Approved
0.6275 Remote Similarity NPD4251 Approved
0.6273 Remote Similarity NPD5211 Phase 2
0.6262 Remote Similarity NPD7839 Suspended
0.626 Remote Similarity NPD6616 Approved
0.625 Remote Similarity NPD6054 Approved
0.625 Remote Similarity NPD6319 Approved
0.6239 Remote Similarity NPD4696 Approved
0.6239 Remote Similarity NPD5285 Approved
0.6239 Remote Similarity NPD5286 Approved
0.6226 Remote Similarity NPD7748 Approved
0.6226 Remote Similarity NPD6001 Approved
0.6224 Remote Similarity NPD4822 Approved
0.6224 Remote Similarity NPD4820 Approved
0.6224 Remote Similarity NPD4821 Approved
0.6224 Remote Similarity NPD4819 Approved
0.621 Remote Similarity NPD7078 Approved
0.6204 Remote Similarity NPD6083 Phase 2
0.6204 Remote Similarity NPD6084 Phase 2
0.6198 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6198 Remote Similarity NPD6016 Approved
0.6198 Remote Similarity NPD6015 Approved
0.619 Remote Similarity NPD7637 Suspended
0.619 Remote Similarity NPD5284 Approved
0.619 Remote Similarity NPD5694 Approved
0.619 Remote Similarity NPD5281 Approved
0.619 Remote Similarity NPD6079 Approved
0.6186 Remote Similarity NPD4268 Approved
0.6186 Remote Similarity NPD4271 Approved
0.6161 Remote Similarity NPD5141 Approved
0.616 Remote Similarity NPD7736 Approved
0.6154 Remote Similarity NPD6904 Approved
0.6154 Remote Similarity NPD6673 Approved
0.6154 Remote Similarity NPD6080 Approved
0.6148 Remote Similarity NPD5988 Approved
0.6148 Remote Similarity NPD6370 Approved
0.6147 Remote Similarity NPD7638 Approved
0.614 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6126 Remote Similarity NPD5224 Approved
0.6126 Remote Similarity NPD4633 Approved
0.6126 Remote Similarity NPD5226 Approved
0.6126 Remote Similarity NPD5225 Approved
0.6111 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6111 Remote Similarity NPD5222 Approved
0.6111 Remote Similarity NPD5221 Approved
0.61 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6095 Remote Similarity NPD5692 Phase 3
0.6091 Remote Similarity NPD7639 Approved
0.6091 Remote Similarity NPD7640 Approved
0.6087 Remote Similarity NPD229 Approved
0.6071 Remote Similarity NPD5175 Approved
0.6071 Remote Similarity NPD5174 Approved
0.6066 Remote Similarity NPD8513 Phase 3
0.6066 Remote Similarity NPD8517 Approved
0.6066 Remote Similarity NPD8515 Approved
0.6066 Remote Similarity NPD8516 Approved
0.6061 Remote Similarity NPD4695 Discontinued
0.6058 Remote Similarity NPD5208 Approved
0.6055 Remote Similarity NPD5173 Approved
0.6055 Remote Similarity NPD4755 Approved
0.6053 Remote Similarity NPD5954 Clinical (unspecified phase)
0.605 Remote Similarity NPD6274 Approved
0.604 Remote Similarity NPD5332 Approved
0.604 Remote Similarity NPD5331 Approved
0.6038 Remote Similarity NPD6050 Approved
0.6038 Remote Similarity NPD7515 Phase 2
0.6036 Remote Similarity NPD5223 Approved
0.6034 Remote Similarity NPD4634 Approved
0.6033 Remote Similarity NPD7100 Approved
0.6033 Remote Similarity NPD7101 Approved
0.6019 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6019 Remote Similarity NPD4629 Approved
0.6019 Remote Similarity NPD3618 Phase 1
0.6019 Remote Similarity NPD5210 Approved
0.6017 Remote Similarity NPD4632 Approved
0.6016 Remote Similarity NPD7260 Phase 2
0.6 Remote Similarity NPD5328 Approved
0.6 Remote Similarity NPD5370 Suspended
0.6 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6 Remote Similarity NPD4790 Discontinued
0.6 Remote Similarity NPD6317 Approved
0.5984 Remote Similarity NPD6059 Approved
0.5984 Remote Similarity NPD7319 Approved
0.5983 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5983 Remote Similarity NPD8413 Clinical (unspecified phase)
0.598 Remote Similarity NPD3668 Phase 3
0.598 Remote Similarity NPD3665 Phase 1
0.598 Remote Similarity NPD3133 Approved
0.598 Remote Similarity NPD6400 Clinical (unspecified phase)
0.598 Remote Similarity NPD3666 Approved
0.5963 Remote Similarity NPD4697 Phase 3
0.5952 Remote Similarity NPD8293 Discontinued
0.595 Remote Similarity NPD6313 Approved
0.595 Remote Similarity NPD6314 Approved
0.595 Remote Similarity NPD6335 Approved
0.5946 Remote Similarity NPD6648 Approved
0.5946 Remote Similarity NPD4700 Approved
0.5941 Remote Similarity NPD3667 Approved
0.5929 Remote Similarity NPD6052 Approved
0.5917 Remote Similarity NPD6868 Approved
0.5897 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5893 Remote Similarity NPD5344 Discontinued
0.5888 Remote Similarity NPD4810 Clinical (unspecified phase)
0.5873 Remote Similarity NPD7507 Approved
0.587 Remote Similarity NPD7331 Phase 2
0.5868 Remote Similarity NPD6009 Approved
0.5865 Remote Similarity NPD6098 Approved
0.5865 Remote Similarity NPD4519 Discontinued
0.5865 Remote Similarity NPD5279 Phase 3
0.5865 Remote Similarity NPD4623 Approved
0.5865 Remote Similarity NPD6422 Discontinued
0.5862 Remote Similarity NPD4730 Approved
0.5862 Remote Similarity NPD4729 Approved

Structure

External Identifiers

PubChem CID   442142
ChEMBL   CHEMBL486196
ZINC  

Physicochemical Properties

Molecular Weight:  304.13
ALogP:  0.5603
MLogP:  2.78
XLogP:  1.291
# Rotatable Bonds:  5
Polar Surface Area:  69.67
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  22

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