Natural Product: NPC316052

Natural Product ID:  NPC316052
Common Name:   Erbstatin
IUPAC Name:   N-[(E)-2-(2,5-dihydroxyphenyl)ethenyl]formamide
Synonyms:   Erbstatin
Molecular Formula:   C9H9NO3
Standard InCHIKey:  SIHZWGODIRRSRA-ONEGZZNKSA-N
Standard InCHI:  InChI=1S/C9H9NO3/c11-6-10-4-3-7-5-8(12)1-2-9(7)13/h1-6,12-13H,(H,10,11)/b4-3+
Canonical SMILES:  OC=N/C=C/c1cc(O)ccc1O
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
NPO22810 Streptomyces Species Streptomycetaceae Bacteria StreptomeDB*
NPO32097 Streptomyces nh435-hf3 Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT285 Individual Protein Epidermal growth factor receptor erbB1 Homo sapiens IC50 = 14000 nM 2552117
NPT285 Individual Protein Epidermal growth factor receptor erbB1 Homo sapiens IC50 = 2000 nM 8355247
NPT285 Individual Protein Epidermal growth factor receptor erbB1 Homo sapiens IC50 = 3000 nM 10.1016/S0960-894X(01)80792-7
NPT285 Individual Protein Epidermal growth factor receptor erbB1 Homo sapiens Inhibition = 90 % 10.1016/S0960-894X(01)80792-7
NPT2 Others Unspecified GI50 = 3 ug/ml 1479375
NPT137 Cell Line L1210 Mus musculus GI50 = 3 ug/ml 1479375
NPT762 Cell Line A-431 Homo sapiens GI50 = 3 ug/ml 1479375
NPT285 Individual Protein Epidermal growth factor receptor erbB1 Homo sapiens IC50 = 0.55 ug/ml 1479375
NPT1556 Individual Protein Epidermal growth factor receptor erbB1 Mus musculus IC50 = 0.2 ug/ml 2614420
NPT2 Others Unspecified IC50 = 100 ug/ml 2614420
NPT2 Others Unspecified IC50 > 179 ug/ml 2614420
NPT2 Others Unspecified IC50 = 25 ug/ml 2614420
NPT285 Individual Protein Epidermal growth factor receptor erbB1 Homo sapiens IC50 = 0.2 ug/ml 2614420
NPT2741 Individual Protein Pyruvate kinase Leishmania mexicana Potency = 41052.6 nM PubChem BioAssay data set
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT2741 Individual Protein Pyruvate kinase Leishmania mexicana Potency = 4466.8 nM PubChem BioAssay data set
NPT50 Individual Protein Tyrosyl-DNA phosphodiesterase 1 Homo sapiens Potency = 7943.3 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT52 Individual Protein Pyruvate kinase isozymes M1/M2 Homo sapiens Potency = 10000 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 15848.9 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT3 Individual Protein Thioredoxin glutathione reductase Schistosoma mansoni Potency = 6309.6 nM PubChem BioAssay data set
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 14125.4 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT55 Individual Protein Putative fructose-1,6-bisphosphate aldolase Giardia intestinalis Potency = 14091.9 nM PubChem BioAssay data set
NPT864 Individual Protein Lethal(3)malignant brain tumor-like protein 1 Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 11220.2 nM PubChem BioAssay data set
NPT4413 Individual Protein M18 aspartyl aminopeptidase Plasmodium falciparum 3D7 IC50 = 3719 nM PubChem BioAssay data set
NPT59 Individual Protein DNA polymerase beta Homo sapiens Potency = 56234.1 nM PubChem BioAssay data set
NPT60 Individual Protein Lysosomal alpha-glucosidase Homo sapiens Potency = 22387.2 nM PubChem BioAssay data set
NPT469 Individual Protein Cathepsin L Homo sapiens IC50 > 59642 nM PubChem BioAssay data set
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 3162.3 nM PubChem BioAssay data set
NPT62 Individual Protein 6-phospho-1-fructokinase Trypanosoma brucei Potency 30131.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35481.3 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 1412.5 nM PubChem BioAssay data set
NPT63 Individual Protein Bromodomain adjacent to zinc finger domain protein 2B Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT4770 Individual Protein High-affinity choline transporter Homo sapiens IC50 4173.12 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 3981.1 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 70794.6 nM PubChem BioAssay data set
NPT803 Individual Protein Flap endonuclease 1 Homo sapiens Potency 17782.8 nM PubChem BioAssay data set
NPT698 Individual Protein Regulator of G-protein signaling 4 Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT9 Individual Protein DNA polymerase eta Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3162.3 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 23934.1 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 16672.47 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 18793.17 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 14791.08 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 29716.66 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 11641.26 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 5140.44 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 22698.65 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 30130.06 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 18749.95 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 17906.06 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 59703.53 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 14757.07 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 9354.06 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 22908.68 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 74131.02 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 18113.4 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 42266.86 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 17782.79 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 85703.78 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 66680.68 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 77090.35 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 4385.31 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 13335.21 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 17021.59 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 8749.84 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 4602.57 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 14859.36 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 89330.55 nM PubChem BioAssay data set
NPT574 Cell Line XF498 Homo sapiens GI50 19815.27 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 26302.68 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 17782.79 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 13963.68 nM PubChem BioAssay data set
NPT168 Cell Line P388 Mus musculus GI50 2103.78 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 29308.93 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 52239.62 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 65614.53 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 62373.48 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 13335.21 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 15667.51 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 17179.08 nM PubChem BioAssay data set
NPT4770 Individual Protein High-affinity choline transporter Homo sapiens IC50 751.14 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 18578.04 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 11297.96 nM PubChem BioAssay data set
NPT731 Cell Line LXFL 529 Homo sapiens GI50 11614.49 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens GI50 17619.76 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 62373.48 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 56234.13 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 13740.42 nM PubChem BioAssay data set
NPT552 Cell Line P388/ADR Mus musculus GI50 2018.37 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 12359.47 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 26181.83 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 58076.44 nM PubChem BioAssay data set
NPT577 Cell Line RXF 631 Homo sapiens GI50 18492.69 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 13995.87 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 19010.78 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 13489.63 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 4111.5 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 15995.58 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 43954.16 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 22233.1 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 23442.29 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 11912.42 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 13031.67 nM PubChem BioAssay data set
NPT738 Cell Line SN12K1 Homo sapiens GI50 16180.8 nM PubChem BioAssay data set
NPT732 Cell Line HOP-18 Homo sapiens GI50 40550.85 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 25929 nM PubChem BioAssay data set
NPT1474 Individual Protein ATP-dependent Clp protease proteolytic subunit Bacillus subtilis (strain 168) Potency 22387.2 nM PubChem BioAssay data set
NPT100 Individual Protein Glutaminase kidney isoform, mitochondrial Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT477 Individual Protein DNA dC->dU-editing enzyme APOBEC-3G Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT755 Individual Protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4610.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4109.5 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14125.4 nM PubChem BioAssay data set
NPT831 Individual Protein Serine/threonine-protein kinase PLK1 Homo sapiens Potency 37685.8 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 10000 nM PubChem BioAssay data set
NPT1040 Individual Protein Human immunodeficiency virus type 1 Tat protein Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1) IC50 10970 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 1720 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 NPC316052 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
0.8476 Intermediate Similarity NPC130103
0.8462 Intermediate Similarity NPC88420
0.8431 Intermediate Similarity NPC29373
0.8286 Intermediate Similarity NPC475078
0.8286 Intermediate Similarity NPC152097
0.8235 Intermediate Similarity NPC312304
0.8208 Intermediate Similarity NPC260775
0.8131 Intermediate Similarity NPC129373
0.8131 Intermediate Similarity NPC174911
0.8131 Intermediate Similarity NPC70677
0.8131 Intermediate Similarity NPC248396
0.8131 Intermediate Similarity NPC12931
0.8131 Intermediate Similarity NPC48730
0.8131 Intermediate Similarity NPC130756
0.8073 Intermediate Similarity NPC130817
0.8056 Intermediate Similarity NPC12221
0.8056 Intermediate Similarity NPC80800
0.8053 Intermediate Similarity NPC163674
0.8018 Intermediate Similarity NPC474352
0.7982 Intermediate Similarity NPC108497
0.7982 Intermediate Similarity NPC235762
0.7982 Intermediate Similarity NPC233827
0.7982 Intermediate Similarity NPC471228
0.7981 Intermediate Similarity NPC231150
0.7946 Intermediate Similarity NPC146530
0.7944 Intermediate Similarity NPC474073
0.7909 Intermediate Similarity NPC475580
0.7909 Intermediate Similarity NPC475225
0.7909 Intermediate Similarity NPC93831
0.789 Intermediate Similarity NPC477685
0.7885 Intermediate Similarity NPC47950
0.7876 Intermediate Similarity NPC473524
0.7864 Intermediate Similarity NPC27974
0.7857 Intermediate Similarity NPC233320
0.7843 Intermediate Similarity NPC155393
0.7838 Intermediate Similarity NPC47284
0.783 Intermediate Similarity NPC245187
0.7818 Intermediate Similarity NPC68055
0.7818 Intermediate Similarity NPC178902
0.7818 Intermediate Similarity NPC269212
0.7788 Intermediate Similarity NPC169450
0.7788 Intermediate Similarity NPC241549
0.7768 Intermediate Similarity NPC53740
0.7768 Intermediate Similarity NPC155072
0.7768 Intermediate Similarity NPC67250
0.7768 Intermediate Similarity NPC54765
0.7767 Intermediate Similarity NPC407
0.7767 Intermediate Similarity NPC307235
0.775 Intermediate Similarity NPC252817
0.7748 Intermediate Similarity NPC272029
0.7745 Intermediate Similarity NPC150837
0.7745 Intermediate Similarity NPC286904
0.7739 Intermediate Similarity NPC227553
0.7719 Intermediate Similarity NPC98392
0.7714 Intermediate Similarity NPC300017
0.7714 Intermediate Similarity NPC192
0.7699 Intermediate Similarity NPC320439
0.7699 Intermediate Similarity NPC66834
0.7692 Intermediate Similarity NPC104216
0.7692 Intermediate Similarity NPC142599
0.7685 Intermediate Similarity NPC259512
0.7685 Intermediate Similarity NPC312132
0.7679 Intermediate Similarity NPC471350
0.7672 Intermediate Similarity NPC302371
0.7652 Intermediate Similarity NPC471535
0.7647 Intermediate Similarity NPC137096
0.7636 Intermediate Similarity NPC72729
0.7636 Intermediate Similarity NPC294741
0.7632 Intermediate Similarity NPC153690
0.7632 Intermediate Similarity NPC95344
0.7627 Intermediate Similarity NPC37302
0.7615 Intermediate Similarity NPC315921
0.7615 Intermediate Similarity NPC6597
0.7615 Intermediate Similarity NPC79241
0.7615 Intermediate Similarity NPC156313
0.7615 Intermediate Similarity NPC107619
0.7611 Intermediate Similarity NPC231705
0.7611 Intermediate Similarity NPC469913
0.7593 Intermediate Similarity NPC274678
0.7589 Intermediate Similarity NPC323810
0.7586 Intermediate Similarity NPC275627
0.7586 Intermediate Similarity NPC54373
0.7586 Intermediate Similarity NPC280382
0.7583 Intermediate Similarity NPC5932
0.757 Intermediate Similarity NPC306884
0.757 Intermediate Similarity NPC325292
0.757 Intermediate Similarity NPC210497
0.757 Intermediate Similarity NPC94139
0.757 Intermediate Similarity NPC55903
0.757 Intermediate Similarity NPC147284
0.757 Intermediate Similarity NPC3358
0.757 Intermediate Similarity NPC162314
0.757 Intermediate Similarity NPC138117
0.7568 Intermediate Similarity NPC110764
0.7565 Intermediate Similarity NPC258056
0.7547 Intermediate Similarity NPC300478
0.7545 Intermediate Similarity NPC128723
0.7545 Intermediate Similarity NPC131587
0.7545 Intermediate Similarity NPC33675
0.7545 Intermediate Similarity NPC299762
0.7544 Intermediate Similarity NPC142297
0.7542 Intermediate Similarity NPC197513
0.754 Intermediate Similarity NPC477839
0.7524 Intermediate Similarity NPC19680
0.7523 Intermediate Similarity NPC283711
0.75 Intermediate Similarity NPC474149
0.75 Intermediate Similarity NPC168393
0.75 Intermediate Similarity NPC152415
0.75 Intermediate Similarity NPC128062
0.75 Intermediate Similarity NPC76938
0.7479 Intermediate Similarity NPC301321
0.7478 Intermediate Similarity NPC279887
0.7478 Intermediate Similarity NPC24101
0.7478 Intermediate Similarity NPC96224
0.7478 Intermediate Similarity NPC68260
0.7477 Intermediate Similarity NPC289381
0.7477 Intermediate Similarity NPC265521
0.7477 Intermediate Similarity NPC204210
0.7477 Intermediate Similarity NPC155847
0.7477 Intermediate Similarity NPC306074
0.7476 Intermediate Similarity NPC265146
0.7459 Intermediate Similarity NPC112823
0.7458 Intermediate Similarity NPC28784
0.7458 Intermediate Similarity NPC296144
0.7455 Intermediate Similarity NPC109955
0.7436 Intermediate Similarity NPC77772
0.7436 Intermediate Similarity NPC266937
0.7436 Intermediate Similarity NPC470770
0.7436 Intermediate Similarity NPC228609
0.7434 Intermediate Similarity NPC102216
0.7434 Intermediate Similarity NPC12278
0.7431 Intermediate Similarity NPC313650
0.7431 Intermediate Similarity NPC32714
0.7431 Intermediate Similarity NPC246679
0.7431 Intermediate Similarity NPC257182
0.7429 Intermediate Similarity NPC23167
0.7417 Intermediate Similarity NPC154256
0.7417 Intermediate Similarity NPC290470
0.7414 Intermediate Similarity NPC282855
0.7414 Intermediate Similarity NPC290566
0.7414 Intermediate Similarity NPC26013
0.7414 Intermediate Similarity NPC145638
0.7411 Intermediate Similarity NPC252105
0.7407 Intermediate Similarity NPC271440
0.7404 Intermediate Similarity NPC248817
0.7404 Intermediate Similarity NPC175313
0.7398 Intermediate Similarity NPC86966
0.7398 Intermediate Similarity NPC284078
0.7395 Intermediate Similarity NPC474050
0.7395 Intermediate Similarity NPC474114
0.7395 Intermediate Similarity NPC473931
0.7387 Intermediate Similarity NPC125732
0.7377 Intermediate Similarity NPC268572
0.7373 Intermediate Similarity NPC474920
0.7373 Intermediate Similarity NPC146422
0.7373 Intermediate Similarity NPC177962
0.7373 Intermediate Similarity NPC228452
0.7373 Intermediate Similarity NPC62867
0.7373 Intermediate Similarity NPC98372
0.7368 Intermediate Similarity NPC292452
0.7364 Intermediate Similarity NPC202986
0.7358 Intermediate Similarity NPC25493
0.7358 Intermediate Similarity NPC113460
0.7355 Intermediate Similarity NPC283468
0.7355 Intermediate Similarity NPC320864
0.735 Intermediate Similarity NPC208229
0.735 Intermediate Similarity NPC132720
0.7333 Intermediate Similarity NPC197783
0.7333 Intermediate Similarity NPC303370
0.7333 Intermediate Similarity NPC232165
0.7328 Intermediate Similarity NPC262365
0.7321 Intermediate Similarity NPC10588
0.7321 Intermediate Similarity NPC166761
0.7317 Intermediate Similarity NPC115627
0.7317 Intermediate Similarity NPC169207
0.7317 Intermediate Similarity NPC118522
0.7317 Intermediate Similarity NPC41801
0.7315 Intermediate Similarity NPC45040
0.7315 Intermediate Similarity NPC304541
0.7311 Intermediate Similarity NPC261343
0.7308 Intermediate Similarity NPC124436
0.7304 Intermediate Similarity NPC310456
0.7297 Intermediate Similarity NPC32674
0.7297 Intermediate Similarity NPC77492
0.7297 Intermediate Similarity NPC291789
0.7295 Intermediate Similarity NPC122009
0.729 Intermediate Similarity NPC242240
0.729 Intermediate Similarity NPC70436
0.729 Intermediate Similarity NPC280347
0.729 Intermediate Similarity NPC123273
0.729 Intermediate Similarity NPC258219
0.729 Intermediate Similarity NPC177420
0.729 Intermediate Similarity NPC318325
0.7288 Intermediate Similarity NPC469912
0.7281 Intermediate Similarity NPC218879
0.7281 Intermediate Similarity NPC288411
0.7281 Intermediate Similarity NPC244513
0.7281 Intermediate Similarity NPC227458
0.7273 Intermediate Similarity NPC222146
0.7273 Intermediate Similarity NPC8392

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC316052 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
0.8131 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7768 Intermediate Similarity NPD1444 Approved
0.7768 Intermediate Similarity NPD1445 Approved
0.7757 Intermediate Similarity NPD844 Approved
0.7692 Intermediate Similarity NPD9614 Approved
0.7692 Intermediate Similarity NPD9618 Approved
0.7685 Intermediate Similarity NPD288 Approved
0.7647 Intermediate Similarity NPD9616 Approved
0.7647 Intermediate Similarity NPD9613 Approved
0.7647 Intermediate Similarity NPD9615 Approved
0.7615 Intermediate Similarity NPD9273 Approved
0.7583 Intermediate Similarity NPD316 Approved
0.7565 Intermediate Similarity NPD1792 Phase 2
0.7442 Intermediate Similarity NPD839 Approved
0.7442 Intermediate Similarity NPD840 Approved
0.7414 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.7373 Intermediate Similarity NPD9377 Approved
0.7373 Intermediate Similarity NPD9379 Approved
0.7317 Intermediate Similarity NPD9381 Approved
0.7317 Intermediate Similarity NPD9384 Approved
0.7308 Intermediate Similarity NPD111 Approved
0.7295 Intermediate Similarity NPD2226 Clinical (unspecified phase)
0.7295 Intermediate Similarity NPD1759 Phase 1
0.7281 Intermediate Similarity NPD9608 Approved
0.7281 Intermediate Similarity NPD9610 Approved
0.725 Intermediate Similarity NPD1791 Approved
0.725 Intermediate Similarity NPD1793 Approved
0.7248 Intermediate Similarity NPD845 Approved
0.7227 Intermediate Similarity NPD7635 Approved
0.7213 Intermediate Similarity NPD1758 Phase 1
0.7209 Intermediate Similarity NPD600 Approved
0.7209 Intermediate Similarity NPD596 Approved
0.7203 Intermediate Similarity NPD9280 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD5350 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD5351 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD6671 Approved
0.719 Intermediate Similarity NPD709 Approved
0.7182 Intermediate Similarity NPD2933 Approved
0.7182 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD2934 Approved
0.7168 Intermediate Similarity NPD1242 Phase 1
0.7167 Intermediate Similarity NPD2229 Approved
0.7167 Intermediate Similarity NPD2234 Approved
0.7167 Intermediate Similarity NPD2228 Approved
0.7155 Intermediate Similarity NPD968 Approved
0.7143 Intermediate Similarity NPD2232 Approved
0.7143 Intermediate Similarity NPD2230 Approved
0.7143 Intermediate Similarity NPD2233 Approved
0.7129 Intermediate Similarity NPD9088 Approved
0.7117 Intermediate Similarity NPD2859 Approved
0.7117 Intermediate Similarity NPD2860 Approved
0.7105 Intermediate Similarity NPD940 Approved
0.7105 Intermediate Similarity NPD846 Approved
0.7087 Intermediate Similarity NPD9622 Approved
0.708 Intermediate Similarity NPD3020 Approved
0.7073 Intermediate Similarity NPD856 Approved
0.7073 Intermediate Similarity NPD16 Approved
0.7073 Intermediate Similarity NPD317 Approved
0.7073 Intermediate Similarity NPD318 Approved
0.7054 Intermediate Similarity NPD9620 Approved
0.7054 Intermediate Similarity NPD9619 Approved
0.7054 Intermediate Similarity NPD9621 Approved
0.7008 Intermediate Similarity NPD2231 Phase 2
0.7008 Intermediate Similarity NPD2337 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD2235 Phase 2
0.7 Intermediate Similarity NPD1712 Approved
0.6975 Remote Similarity NPD4750 Phase 3
0.6964 Remote Similarity NPD1809 Phase 2
0.696 Remote Similarity NPD4093 Discontinued
0.6949 Remote Similarity NPD2342 Discontinued
0.6923 Remote Similarity NPD602 Approved
0.6923 Remote Similarity NPD858 Approved
0.6923 Remote Similarity NPD859 Approved
0.6923 Remote Similarity NPD599 Approved
0.6905 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6905 Remote Similarity NPD1751 Approved
0.6899 Remote Similarity NPD2922 Phase 1
0.688 Remote Similarity NPD5304 Approved
0.688 Remote Similarity NPD5303 Approved
0.6863 Remote Similarity NPD9294 Approved
0.686 Remote Similarity NPD228 Approved
0.685 Remote Similarity NPD1981 Approved
0.685 Remote Similarity NPD1980 Approved
0.685 Remote Similarity NPD1983 Approved
0.6846 Remote Similarity NPD1133 Approved
0.6846 Remote Similarity NPD1134 Approved
0.6846 Remote Similarity NPD1135 Approved
0.6846 Remote Similarity NPD1129 Approved
0.6846 Remote Similarity NPD1131 Approved
0.6842 Remote Similarity NPD601 Approved
0.6842 Remote Similarity NPD597 Approved
0.6842 Remote Similarity NPD598 Approved
0.6833 Remote Similarity NPD3021 Approved
0.6833 Remote Similarity NPD3022 Approved
0.6822 Remote Similarity NPD1669 Approved
0.6822 Remote Similarity NPD3676 Clinical (unspecified phase)
0.6822 Remote Similarity NPD1755 Approved
0.6807 Remote Similarity NPD290 Approved
0.6794 Remote Similarity NPD6584 Phase 3
0.6791 Remote Similarity NPD2674 Phase 3
0.6791 Remote Similarity NPD1136 Approved
0.6791 Remote Similarity NPD1132 Approved
0.6791 Remote Similarity NPD1130 Approved
0.6783 Remote Similarity NPD9712 Approved
0.6769 Remote Similarity NPD5311 Approved
0.6769 Remote Similarity NPD5310 Approved
0.6769 Remote Similarity NPD9634 Clinical (unspecified phase)
0.6767 Remote Similarity NPD1024 Discontinued
0.6752 Remote Similarity NPD9500 Approved
0.6744 Remote Similarity NPD2561 Approved
0.6744 Remote Similarity NPD2562 Approved
0.6741 Remote Similarity NPD3061 Approved
0.6741 Remote Similarity NPD3059 Approved
0.6741 Remote Similarity NPD3062 Approved
0.6741 Remote Similarity NPD2238 Phase 2
0.6733 Remote Similarity NPD9087 Approved
0.6727 Remote Similarity NPD9295 Approved
0.672 Remote Similarity NPD9568 Approved
0.6719 Remote Similarity NPD3421 Phase 3
0.6719 Remote Similarity NPD3496 Discontinued
0.6719 Remote Similarity NPD3143 Discontinued
0.6718 Remote Similarity NPD3053 Approved
0.6718 Remote Similarity NPD3055 Approved
0.6716 Remote Similarity NPD3145 Approved
0.6716 Remote Similarity NPD3144 Approved
0.6696 Remote Similarity NPD9609 Approved
0.6696 Remote Similarity NPD9612 Approved
0.6696 Remote Similarity NPD9710 Approved
0.6696 Remote Similarity NPD9711 Approved
0.6696 Remote Similarity NPD9611 Approved
0.6694 Remote Similarity NPD497 Approved
0.6693 Remote Similarity NPD4235 Clinical (unspecified phase)
0.6692 Remote Similarity NPD4659 Approved
0.6692 Remote Similarity NPD3685 Discontinued
0.6667 Remote Similarity NPD6405 Approved
0.6667 Remote Similarity NPD558 Phase 2
0.6667 Remote Similarity NPD3400 Discontinued
0.6667 Remote Similarity NPD854 Approved
0.6667 Remote Similarity NPD821 Approved
0.6667 Remote Similarity NPD855 Approved
0.6667 Remote Similarity NPD776 Approved
0.6667 Remote Similarity NPD6407 Approved
0.6642 Remote Similarity NPD817 Approved
0.6642 Remote Similarity NPD2372 Approved
0.6642 Remote Similarity NPD2568 Approved
0.6642 Remote Similarity NPD823 Approved
0.6642 Remote Similarity NPD2157 Approved
0.6642 Remote Similarity NPD3136 Phase 2
0.6642 Remote Similarity NPD5314 Approved
0.6641 Remote Similarity NPD2668 Approved
0.6641 Remote Similarity NPD2286 Discontinued
0.6641 Remote Similarity NPD2667 Approved
0.6618 Remote Similarity NPD6346 Approved
0.6617 Remote Similarity NPD2237 Approved
0.6617 Remote Similarity NPD2861 Phase 2
0.6614 Remote Similarity NPD3091 Approved
0.6613 Remote Similarity NPD495 Approved
0.6613 Remote Similarity NPD496 Approved
0.6613 Remote Similarity NPD498 Approved
0.6597 Remote Similarity NPD2504 Approved
0.6597 Remote Similarity NPD2505 Approved
0.6593 Remote Similarity NPD1048 Approved
0.6591 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6591 Remote Similarity NPD4103 Phase 2
0.6587 Remote Similarity NPD405 Clinical (unspecified phase)
0.6587 Remote Similarity NPD7325 Clinical (unspecified phase)
0.6565 Remote Similarity NPD6582 Phase 2
0.6565 Remote Similarity NPD6583 Phase 3
0.6562 Remote Similarity NPD6382 Discontinued
0.656 Remote Similarity NPD593 Approved
0.656 Remote Similarity NPD595 Approved
0.656 Remote Similarity NPD475 Phase 2
0.6555 Remote Similarity NPD310 Approved
0.6555 Remote Similarity NPD10 Approved
0.6555 Remote Similarity NPD309 Approved
0.6555 Remote Similarity NPD314 Approved
0.6555 Remote Similarity NPD311 Approved
0.6555 Remote Similarity NPD315 Approved
0.6549 Remote Similarity NPD159 Clinical (unspecified phase)
0.6547 Remote Similarity NPD1753 Discontinued
0.6544 Remote Similarity NPD7477 Discontinued
0.6541 Remote Similarity NPD7451 Discontinued
0.6529 Remote Similarity NPD9507 Approved
0.6529 Remote Similarity NPD6406 Approved
0.6508 Remote Similarity NPD255 Approved
0.6508 Remote Similarity NPD256 Approved
0.6508 Remote Similarity NPD2557 Approved
0.6503 Remote Similarity NPD3692 Discontinued
0.6493 Remote Similarity NPD3636 Approved
0.6493 Remote Similarity NPD3637 Approved
0.6493 Remote Similarity NPD4993 Discontinued
0.6493 Remote Similarity NPD9569 Approved
0.6493 Remote Similarity NPD3635 Approved
0.6489 Remote Similarity NPD3070 Discontinued
0.6484 Remote Similarity NPD1182 Approved
0.6479 Remote Similarity NPD5177 Phase 3
0.6475 Remote Similarity NPD3552 Approved
0.6475 Remote Similarity NPD74 Approved
0.6475 Remote Similarity NPD9266 Approved
0.6475 Remote Similarity NPD3553 Approved

Structure

External Identifiers

PubChem CID   5328552
ChEMBL   CHEMBL47986
ZINC  

Physicochemical Properties

Molecular Weight:  179.06
ALogP:  -1.6794
MLogP:  2.01
XLogP:  0.418
# Rotatable Bonds:  5
Polar Surface Area:  73.05
# H-Bond Aceptor:  2
# H-Bond Donor:  3
# Rings:  1
# Heavy Atoms:  13

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Biological Activities  
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