Natural Product: NPC209389

Natural Product ID:  NPC209389
Common Name:   Indigo
IUPAC Name:   (2E)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one
Synonyms:   Indigo
Molecular Formula:   C16H10N2O2
Standard InCHIKey:  COHYTHOBJLSHDF-BUHFOSPRSA-N
Standard InCHI:  InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+
Canonical SMILES:  O=C1c2ccccc2N/C/1=C1/Nc2c(C1=O)cccc2
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
NPO31573 Polygonum tinctorium Species Polygonaceae Eukaryota TCM_Taiwan*
NPO6485 Spiraea japonica Species Rosaceae Eukaryota UNPD*
NPO1007 Crotalaria paniculata Species Fabaceae Eukaryota UNPD*
NPO26308 Lithocarpus polystachyus Species Fagaceae Eukaryota UNPD*
NPO15694 Corydalis cheilanthifolia Species Papaveraceae Eukaryota UNPD*
NPO8274 Geijera parviflora Species Rutaceae Eukaryota UNPD*
NPO4520 Allium macrostemon Species Amaryllidaceae Eukaryota UNPD*
NPO298 Isatdis radix NA NA NA TCMSP*
NPO29692 Isatidis folium NA NA NA TCMSP*
NPO14536 Polygoni tinctorii foliu NA NA NA TCMSP*
NPO5812 Indigo naturalis NA NA NA TCMSP*
NPO4582 Baphicacanthus cusia Species Acanthaceae Eukaryota TM-MC*
NPO12718 Simira salvadorensis Species Rubiaceae Eukaryota UNPD*
NPO4554 Isatis tinctoria Species Brassicaceae Eukaryota TM-MC*
NPO9069 Persicaria tinctoria Species Polygonaceae Eukaryota TM-MC*
NPO31050 Isatis indigotica Species Brassicaceae Eukaryota Roots Anhui, China PMID[22694318]
NPO15101 Tricholoma panaeolum Species Tricholomataceae Eukaryota UNPD*
NPO30657 Lndigofera tinctoria NA NA NA TCM_Taiwan*
NPO31050 Isatis indigotica Species Brassicaceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1509 Protein Complex Cyclin-dependent kinase 5/CDK5 activator 1 Homo sapiens IC50 > 100000 nM 15163202
NPT1570 Protein Complex Cyclin-dependent kinase 1/cyclin B Homo sapiens IC50 > 100000 nM 15163202
NPT1572 Protein Family Glycogen synthase kinase-3 Homo sapiens IC50 > 100000 nM 15163202
NPT2 Others Unspecified IC50 = 200000 nM 10.1016/S0960-894X(00)80378-9
NPT1371 Individual Protein Cyclin-dependent kinase 2 Homo sapiens IC50 = 70000 nM 12672248
NPT36 Individual Protein Tyrosine-protein kinase SRC Homo sapiens IC50 = 28000 nM 12672248
NPT2 Others Unspecified IC50 = 30000 nM 12672248
NPT607 Individual Protein Beta-chymotrypsin Homo sapiens IC50 = 90000 nM 12672248
NPT1564 Individual Protein Malate dehydrogenase Thermus thermophilus IC50 = 60000 nM 12672248
NPT155 Individual Protein Aryl hydrocarbon receptor Homo sapiens EC50 = 1700 nM 20060304
NPT50 Individual Protein Tyrosyl-DNA phosphodiesterase 1 Homo sapiens Potency = 3548.1 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 3162.3 nM PubChem BioAssay data set
NPT583 Individual Protein Inositol monophosphatase 1 Rattus norvegicus Potency = 3162.3 nM PubChem BioAssay data set
NPT62 Individual Protein 6-phospho-1-fructokinase Trypanosoma brucei Potency 7943.3 nM PubChem BioAssay data set
NPT50 Individual Protein Tyrosyl-DNA phosphodiesterase 1 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 5011.9 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 9528.3 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 63095.7 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 12817.8 nM PubChem BioAssay data set
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC > 32000 nM 24314672
NPT2 Others Unspecified Potency 4216.3 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 18832.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1216 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11883.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 943.9 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 7943.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 60944.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1083.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26603.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 22387.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33491.5 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 15848.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7497.8 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 25118.9 nM PubChem BioAssay data set
NPT3944 Protein Complex Cyclin-dependent kinase 2/cyclin E1 Homo sapiens IC50 = 1000 nM 26706352

  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 NPC209389 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
0.8952 High Similarity NPC254698
0.872 High Similarity NPC268534
0.871 High Similarity NPC179605
0.871 High Similarity NPC279385
0.864 High Similarity NPC103292
0.8583 High Similarity NPC192533
0.8451 Intermediate Similarity NPC295021
0.8429 Intermediate Similarity NPC237649
0.8429 Intermediate Similarity NPC300596
0.8406 Intermediate Similarity NPC136002
0.8346 Intermediate Similarity NPC257490
0.8258 Intermediate Similarity NPC194562
0.8189 Intermediate Similarity NPC291962
0.8189 Intermediate Similarity NPC177684
0.8188 Intermediate Similarity NPC471574
0.8188 Intermediate Similarity NPC471164
0.814 Intermediate Similarity NPC39818
0.8125 Intermediate Similarity NPC161956
0.8125 Intermediate Similarity NPC258531
0.8125 Intermediate Similarity NPC112373
0.8116 Intermediate Similarity NPC207554
0.8099 Intermediate Similarity NPC172170
0.7843 Intermediate Similarity NPC471943
0.7769 Intermediate Similarity NPC226143
0.7754 Intermediate Similarity NPC316104
0.7754 Intermediate Similarity NPC162417
0.7639 Intermediate Similarity NPC470822
0.7613 Intermediate Similarity NPC472118
0.7547 Intermediate Similarity NPC475094
0.7517 Intermediate Similarity NPC130797
0.7484 Intermediate Similarity NPC284775
0.7482 Intermediate Similarity NPC40364
0.7447 Intermediate Similarity NPC300299
0.7431 Intermediate Similarity NPC2823
0.7407 Intermediate Similarity NPC117027
0.7319 Intermediate Similarity NPC72473
0.7319 Intermediate Similarity NPC307437
0.7319 Intermediate Similarity NPC58827
0.731 Intermediate Similarity NPC43477
0.7308 Intermediate Similarity NPC115232
0.7254 Intermediate Similarity NPC253476
0.7214 Intermediate Similarity NPC472245
0.7203 Intermediate Similarity NPC173295
0.7188 Intermediate Similarity NPC177261
0.7188 Intermediate Similarity NPC252572
0.7186 Intermediate Similarity NPC473666
0.7172 Intermediate Similarity NPC83214
0.7122 Intermediate Similarity NPC322433
0.7113 Intermediate Similarity NPC207428
0.7101 Intermediate Similarity NPC476460
0.7099 Intermediate Similarity NPC151635
0.7092 Intermediate Similarity NPC187231
0.707 Intermediate Similarity NPC293458
0.707 Intermediate Similarity NPC214106
0.7059 Intermediate Similarity NPC117032
0.705 Intermediate Similarity NPC470343
0.705 Intermediate Similarity NPC472244
0.7045 Intermediate Similarity NPC57051
0.7039 Intermediate Similarity NPC13526
0.7039 Intermediate Similarity NPC144691
0.7021 Intermediate Similarity NPC150863
0.7007 Intermediate Similarity NPC315051
0.7007 Intermediate Similarity NPC130251
0.6972 Remote Similarity NPC280807
0.6972 Remote Similarity NPC314431
0.6972 Remote Similarity NPC477432
0.6959 Remote Similarity NPC301760
0.6943 Remote Similarity NPC276085
0.6937 Remote Similarity NPC279527
0.6937 Remote Similarity NPC214960
0.6933 Remote Similarity NPC470548
0.6923 Remote Similarity NPC316746
0.6919 Remote Similarity NPC326422
0.6919 Remote Similarity NPC304203
0.6914 Remote Similarity NPC355
0.6913 Remote Similarity NPC472241
0.6901 Remote Similarity NPC122235
0.6894 Remote Similarity NPC224970
0.6894 Remote Similarity NPC167724
0.6894 Remote Similarity NPC223595
0.6879 Remote Similarity NPC61013
0.6879 Remote Similarity NPC222029
0.6879 Remote Similarity NPC123241
0.6875 Remote Similarity NPC38262
0.6871 Remote Similarity NPC122553
0.6857 Remote Similarity NPC226794
0.6855 Remote Similarity NPC469741
0.6846 Remote Similarity NPC316202
0.6846 Remote Similarity NPC79618
0.6845 Remote Similarity NPC477003
0.6842 Remote Similarity NPC324091
0.6835 Remote Similarity NPC193410
0.6835 Remote Similarity NPC36495
0.6824 Remote Similarity NPC469560
0.6813 Remote Similarity NPC113056
0.6813 Remote Similarity NPC138293
0.6812 Remote Similarity NPC130931
0.6805 Remote Similarity NPC133003
0.6803 Remote Similarity NPC471123
0.6794 Remote Similarity NPC302790
0.6792 Remote Similarity NPC472102
0.6792 Remote Similarity NPC309531
0.6792 Remote Similarity NPC248117
0.6779 Remote Similarity NPC472243
0.6776 Remote Similarity NPC472242
0.6772 Remote Similarity NPC76982
0.6766 Remote Similarity NPC475685
0.6766 Remote Similarity NPC283810
0.6766 Remote Similarity NPC88110
0.6732 Remote Similarity NPC324445
0.6727 Remote Similarity NPC475594
0.6726 Remote Similarity NPC191415
0.6713 Remote Similarity NPC145754
0.671 Remote Similarity NPC473329
0.6707 Remote Similarity NPC475761
0.6687 Remote Similarity NPC475607
0.6687 Remote Similarity NPC471743
0.6687 Remote Similarity NPC93653
0.6686 Remote Similarity NPC470205
0.6667 Remote Similarity NPC66936
0.6667 Remote Similarity NPC71132
0.6667 Remote Similarity NPC242933
0.6667 Remote Similarity NPC317701
0.6647 Remote Similarity NPC474081
0.6646 Remote Similarity NPC99632
0.6646 Remote Similarity NPC286871
0.6646 Remote Similarity NPC282339
0.6645 Remote Similarity NPC314287
0.6645 Remote Similarity NPC469537
0.6643 Remote Similarity NPC475915
0.6627 Remote Similarity NPC469529
0.6626 Remote Similarity NPC182131
0.6607 Remote Similarity NPC474041
0.6591 Remote Similarity NPC434
0.6588 Remote Similarity NPC470317
0.6566 Remote Similarity NPC242269
0.6565 Remote Similarity NPC167336
0.6564 Remote Similarity NPC299582
0.6564 Remote Similarity NPC42372
0.6562 Remote Similarity NPC113946
0.6562 Remote Similarity NPC75496
0.6561 Remote Similarity NPC314223
0.656 Remote Similarity NPC291070
0.656 Remote Similarity NPC246757
0.6554 Remote Similarity NPC79356
0.6554 Remote Similarity NPC102592
0.655 Remote Similarity NPC21429
0.6536 Remote Similarity NPC106118
0.6527 Remote Similarity NPC329338
0.6527 Remote Similarity NPC469726
0.6513 Remote Similarity NPC470301
0.6512 Remote Similarity NPC49184
0.6506 Remote Similarity NPC318183
0.6506 Remote Similarity NPC292265
0.6503 Remote Similarity NPC204867
0.6503 Remote Similarity NPC8104
0.6503 Remote Similarity NPC225400
0.6503 Remote Similarity NPC189116
0.6494 Remote Similarity NPC314186
0.6491 Remote Similarity NPC102755
0.6488 Remote Similarity NPC264482
0.6488 Remote Similarity NPC203202
0.6485 Remote Similarity NPC63047
0.6485 Remote Similarity NPC475248
0.6481 Remote Similarity NPC27904
0.6478 Remote Similarity NPC200743
0.6478 Remote Similarity NPC251391
0.6474 Remote Similarity NPC17273
0.6474 Remote Similarity NPC135601
0.6474 Remote Similarity NPC150308
0.6474 Remote Similarity NPC141612
0.6471 Remote Similarity NPC73994
0.6467 Remote Similarity NPC161861
0.6467 Remote Similarity NPC470786
0.6467 Remote Similarity NPC285622
0.6467 Remote Similarity NPC472538
0.6467 Remote Similarity NPC471155
0.6461 Remote Similarity NPC472293
0.6461 Remote Similarity NPC472539
0.6461 Remote Similarity NPC470787
0.6461 Remote Similarity NPC472540
0.646 Remote Similarity NPC477887
0.6453 Remote Similarity NPC97584
0.645 Remote Similarity NPC186669
0.6446 Remote Similarity NPC229477
0.6442 Remote Similarity NPC257763
0.6442 Remote Similarity NPC88970
0.6442 Remote Similarity NPC242116
0.6433 Remote Similarity NPC109787
0.6433 Remote Similarity NPC105811
0.6432 Remote Similarity NPC270241
0.6432 Remote Similarity NPC285192
0.6429 Remote Similarity NPC293216
0.6429 Remote Similarity NPC478040
0.6425 Remote Similarity NPC472542
0.6425 Remote Similarity NPC472541
0.642 Remote Similarity NPC474492
0.6412 Remote Similarity NPC218594
0.6412 Remote Similarity NPC99043
0.6412 Remote Similarity NPC6974

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC209389 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
0.8511 High Similarity NPD1854 Approved
0.8074 Intermediate Similarity NPD1541 Approved
0.8069 Intermediate Similarity NPD2790 Discontinued
0.8 Intermediate Similarity NPD1175 Approved
0.7941 Intermediate Similarity NPD1527 Phase 2
0.7926 Intermediate Similarity NPD486 Clinical (unspecified phase)
0.7879 Intermediate Similarity NPD1640 Clinical (unspecified phase)
0.7721 Intermediate Similarity NPD2919 Clinical (unspecified phase)
0.7721 Intermediate Similarity NPD2918 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD6342 Discontinued
0.766 Intermediate Similarity NPD1626 Approved
0.7586 Intermediate Similarity NPD6017 Discontinued
0.7571 Intermediate Similarity NPD2331 Discontinued
0.7554 Intermediate Similarity NPD1874 Clinical (unspecified phase)
0.7517 Intermediate Similarity NPD5918 Discontinued
0.75 Intermediate Similarity NPD2737 Clinical (unspecified phase)
0.7482 Intermediate Similarity NPD1919 Approved
0.7482 Intermediate Similarity NPD1920 Approved
0.7448 Intermediate Similarity NPD1625 Approved
0.7429 Intermediate Similarity NPD2950 Approved
0.7429 Intermediate Similarity NPD2949 Approved
0.741 Intermediate Similarity NPD1619 Phase 3
0.7379 Intermediate Similarity NPD1189 Approved
0.7379 Intermediate Similarity NPD6768 Approved
0.7315 Intermediate Similarity NPD4888 Discontinued
0.731 Intermediate Similarity NPD1222 Discontinued
0.7305 Intermediate Similarity NPD441 Approved
0.7305 Intermediate Similarity NPD6740 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD4042 Phase 2
0.7303 Intermediate Similarity NPD4045 Phase 2
0.726 Intermediate Similarity NPD6566 Discontinued
0.726 Intermediate Similarity NPD6512 Approved
0.726 Intermediate Similarity NPD6513 Approved
0.7246 Intermediate Similarity NPD1593 Approved
0.723 Intermediate Similarity NPD5931 Phase 3
0.723 Intermediate Similarity NPD5932 Phase 3
0.723 Intermediate Similarity NPD5933 Phase 3
0.7226 Intermediate Similarity NPD9539 Approved
0.7226 Intermediate Similarity NPD9541 Approved
0.7211 Intermediate Similarity NPD4464 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD7072 Phase 2
0.7174 Intermediate Similarity NPD1574 Approved
0.7132 Intermediate Similarity NPD1079 Discontinued
0.7122 Intermediate Similarity NPD9540 Approved
0.7075 Intermediate Similarity NPD4461 Discontinued
0.7059 Intermediate Similarity NPD3248 Phase 1
0.7051 Intermediate Similarity NPD33 Approved
0.7051 Intermediate Similarity NPD4393 Approved
0.7045 Intermediate Similarity NPD3387 Approved
0.7044 Intermediate Similarity NPD4645 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD4300 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD5227 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD4549 Discontinued
0.7007 Intermediate Similarity NPD1124 Approved
0.7007 Intermediate Similarity NPD1123 Approved
0.6993 Remote Similarity NPD1230 Approved
0.6974 Remote Similarity NPD4939 Clinical (unspecified phase)
0.6959 Remote Similarity NPD3434 Clinical (unspecified phase)
0.6957 Remote Similarity NPD2369 Discontinued
0.6923 Remote Similarity NPD951 Approved
0.6923 Remote Similarity NPD6855 Clinical (unspecified phase)
0.6923 Remote Similarity NPD2836 Approved
0.6913 Remote Similarity NPD2365 Approved
0.6912 Remote Similarity NPD1668 Clinical (unspecified phase)
0.6894 Remote Similarity NPD3865 Approved
0.6871 Remote Similarity NPD4077 Clinical (unspecified phase)
0.6867 Remote Similarity NPD2820 Phase 3
0.6867 Remote Similarity NPD5024 Approved
0.6863 Remote Similarity NPD4942 Approved
0.6863 Remote Similarity NPD979 Approved
0.6861 Remote Similarity NPD1306 Clinical (unspecified phase)
0.6849 Remote Similarity NPD2470 Clinical (unspecified phase)
0.6849 Remote Similarity NPD1228 Phase 2
0.6842 Remote Similarity NPD1524 Phase 1
0.6815 Remote Similarity NPD1211 Clinical (unspecified phase)
0.6815 Remote Similarity NPD1208 Approved
0.6806 Remote Similarity NPD1190 Approved
0.6803 Remote Similarity NPD1207 Approved
0.6803 Remote Similarity NPD1206 Approved
0.68 Remote Similarity NPD3482 Approved
0.6797 Remote Similarity NPD7088 Discontinued
0.6788 Remote Similarity NPD922 Approved
0.6783 Remote Similarity NPD1781 Discontinued
0.6781 Remote Similarity NPD1531 Approved
0.6769 Remote Similarity NPD1065 Approved
0.6769 Remote Similarity NPD1064 Approved
0.6767 Remote Similarity NPD3001 Approved
0.6767 Remote Similarity NPD2999 Approved
0.6763 Remote Similarity NPD1517 Clinical (unspecified phase)
0.6761 Remote Similarity NPD797 Clinical (unspecified phase)
0.6748 Remote Similarity NPD3376 Clinical (unspecified phase)
0.6747 Remote Similarity NPD3792 Approved
0.6733 Remote Similarity NPD2010 Phase 3
0.6714 Remote Similarity NPD4775 Clinical (unspecified phase)
0.6711 Remote Similarity NPD4046 Approved
0.6711 Remote Similarity NPD7254 Discontinued
0.6711 Remote Similarity NPD3481 Approved
0.6711 Remote Similarity NPD4043 Approved
0.6708 Remote Similarity NPD3790 Phase 2
0.6692 Remote Similarity NPD2197 Approved
0.6692 Remote Similarity NPD2192 Approved
0.6689 Remote Similarity NPD168 Phase 1
0.6689 Remote Similarity NPD167 Phase 2
0.6667 Remote Similarity NPD4330 Approved
0.6667 Remote Similarity NPD1205 Approved
0.6667 Remote Similarity NPD1209 Approved
0.6667 Remote Similarity NPD5181 Approved
0.6667 Remote Similarity NPD5179 Approved
0.6667 Remote Similarity NPD5180 Approved
0.6667 Remote Similarity NPD4329 Approved
0.6646 Remote Similarity NPD1210 Approved
0.6645 Remote Similarity NPD5941 Approved
0.6645 Remote Similarity NPD4161 Discontinued
0.6645 Remote Similarity NPD5942 Approved
0.6644 Remote Similarity NPD1532 Approved
0.6644 Remote Similarity NPD6358 Phase 2
0.6643 Remote Similarity NPD678 Discontinued
0.6641 Remote Similarity NPD993 Approved
0.6641 Remote Similarity NPD990 Approved
0.6627 Remote Similarity NPD7662 Clinical (unspecified phase)
0.6623 Remote Similarity NPD3625 Discontinued
0.6617 Remote Similarity NPD1539 Approved
0.6607 Remote Similarity NPD3782 Discontinued
0.6607 Remote Similarity NPD2590 Clinical (unspecified phase)
0.6605 Remote Similarity NPD2288 Clinical (unspecified phase)
0.6604 Remote Similarity NPD7091 Discontinued
0.6603 Remote Similarity NPD5748 Phase 2
0.6597 Remote Similarity NPD1560 Clinical (unspecified phase)
0.6585 Remote Similarity NPD2413 Phase 2
0.6585 Remote Similarity NPD2404 Discontinued
0.6585 Remote Similarity NPD2037 Approved
0.6584 Remote Similarity NPD3747 Discontinued
0.6584 Remote Similarity NPD4311 Approved
0.6582 Remote Similarity NPD5086 Approved
0.6568 Remote Similarity NPD2481 Approved
0.6568 Remote Similarity NPD2479 Phase 3
0.6568 Remote Similarity NPD5473 Discontinued
0.6562 Remote Similarity NPD8630 Approved
0.6548 Remote Similarity NPD5840 Discontinued
0.6545 Remote Similarity NPD5183 Approved
0.6545 Remote Similarity NPD5186 Approved
0.6543 Remote Similarity NPD7220 Approved
0.6535 Remote Similarity NPD1099 Approved
0.6535 Remote Similarity NPD1100 Approved
0.6515 Remote Similarity NPD3546 Approved
0.6515 Remote Similarity NPD3545 Approved
0.6507 Remote Similarity NPD5131 Approved
0.6506 Remote Similarity NPD2432 Approved
0.6506 Remote Similarity NPD2431 Approved
0.65 Remote Similarity NPD7105 Phase 1
0.649 Remote Similarity NPD7142 Discontinued
0.649 Remote Similarity NPD6655 Clinical (unspecified phase)
0.6488 Remote Similarity NPD1544 Phase 1
0.6485 Remote Similarity NPD5921 Clinical (unspecified phase)
0.6483 Remote Similarity NPD5993 Phase 1
0.6478 Remote Similarity NPD7612 Clinical (unspecified phase)
0.6471 Remote Similarity NPD7014 Clinical (unspecified phase)
0.6466 Remote Similarity NPD4115 Approved
0.6466 Remote Similarity NPD4114 Approved
0.6463 Remote Similarity NPD1069 Approved
0.6463 Remote Similarity NPD1070 Approved
0.6462 Remote Similarity NPD2196 Discontinued
0.6461 Remote Similarity NPD4848 Phase 1
0.6453 Remote Similarity NPD3607 Clinical (unspecified phase)
0.6449 Remote Similarity NPD1323 Discontinued
0.6446 Remote Similarity NPD1573 Approved
0.6446 Remote Similarity NPD1575 Approved
0.6437 Remote Similarity NPD4988 Discontinued
0.6434 Remote Similarity NPD3623 Clinical (unspecified phase)
0.6434 Remote Similarity NPD3622 Clinical (unspecified phase)
0.6429 Remote Similarity NPD4736 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5466 Approved
0.6429 Remote Similarity NPD2461 Phase 1
0.642 Remote Similarity NPD6180 Clinical (unspecified phase)
0.642 Remote Similarity NPD1630 Approved
0.6418 Remote Similarity NPD1342 Approved
0.6414 Remote Similarity NPD1949 Approved
0.6414 Remote Similarity NPD1950 Approved
0.6408 Remote Similarity NPD3836 Clinical (unspecified phase)
0.6407 Remote Similarity NPD5727 Clinical (unspecified phase)
0.6403 Remote Similarity NPD6069 Approved
0.6403 Remote Similarity NPD6070 Approved
0.6402 Remote Similarity NPD923 Approved
0.64 Remote Similarity NPD2791 Discontinued
0.64 Remote Similarity NPD1410 Phase 1
0.6398 Remote Similarity NPD1663 Discontinued
0.6398 Remote Similarity NPD2351 Discontinued
0.6387 Remote Similarity NPD7487 Discontinued
0.6387 Remote Similarity NPD4347 Clinical (unspecified phase)
0.6386 Remote Similarity NPD2455 Approved
0.6386 Remote Similarity NPD2454 Approved
0.638 Remote Similarity NPD2506 Approved
0.6375 Remote Similarity NPD2360 Approved
0.6374 Remote Similarity NPD1291 Clinical (unspecified phase)
0.637 Remote Similarity NPD4116 Approved
0.6369 Remote Similarity NPD1553 Approved
0.6369 Remote Similarity NPD1802 Approved
0.6369 Remote Similarity NPD7854 Phase 2
0.6369 Remote Similarity NPD4524 Discontinued
0.6369 Remote Similarity NPD1801 Approved

Structure

External Identifiers

PubChem CID   5318432
ChEMBL   CHEMBL599552
ZINC  

Physicochemical Properties

Molecular Weight:  262.07
ALogP:  -1.7942
MLogP:  2.78
XLogP:  4.628
# Rotatable Bonds:  0
Polar Surface Area:  58.2
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  20

Download Data

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Biological Activities  
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