Natural Product: NPC241949

Natural Product ID:  NPC241949
Common Name:   2-Hydroxynonadecane-1,2,3-Tricarboxylic Acid
IUPAC Name:   2-hydroxynonadecane-1,2,3-tricarboxylic acid
Synonyms:  
Molecular Formula:   C22H40O7
Standard InCHIKey:  HZLCGUXUOFWCCN-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C22H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(25)26)22(29,21(27)28)17-19(23)24/h18,29H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28)
Canonical SMILES:  CCCCCCCCCCCCCCCCC(C(C(=O)O)(CC(=O)O)O)C(=O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO24588 Phellinus igniarius Species Hymenochaetaceae Eukaryota TCM_Taiwan*
NPO24588 Phellinus igniarius Species Hymenochaetaceae Eukaryota HerDing*
NPO24588 Phellinus igniarius Species Hymenochaetaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1664 Individual Protein Squalene synthetase Rattus norvegicus IC50 = 9000 nM 10.1016/0960-894X(95)00419-T
NPT32 Organism Mus musculus Mus musculus Inhibition = 0 % 10.1016/0960-894X(95)00419-T
NPT58 Individual Protein Bloom syndrome protein Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT443 Individual Protein Histone acetyltransferase GCN5 Homo sapiens Potency 1122 nM PubChem BioAssay data set
NPT521 Cell Line RBL-2H3 Rattus norvegicus Inhibition = 36 % 21421276
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 10000 nM PubChem BioAssay data set
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 15848.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 0.3 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 21677.04 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 46989.41 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 40644.33 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 28973.44 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 20323.57 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 35645.11 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 14825.18 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 39084.09 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 28119.01 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 58613.82 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 21037.78 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 35237.09 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 18535.32 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 25527.01 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 57016.43 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 17218.69 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 16672.47 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 39084.09 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 17947.34 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 27542.29 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 23878.11 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 24717.24 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 34753.62 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 19998.62 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 21232.44 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 19678.86 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 19319.68 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 26730.06 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 26485 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 20276.83 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 18879.91 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 19998.62 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 21478.3 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 19142.56 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 28641.78 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 20183.66 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 19543.39 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 34914.03 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 17701.09 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 17538.81 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 21428.91 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 18197.01 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 34833.73 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 17660.38 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 22080.05 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 32196.8 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 35156.04 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 24099.05 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 34119.29 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 27101.92 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 21232.44 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 22646.44 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 22080.05 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 23933.16 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 18706.82 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 29855.4 nM PubChem BioAssay data set
NPT100 Individual Protein Glutaminase kidney isoform, mitochondrial Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13332.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10682.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26832.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26603.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18832.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 16930.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1188.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23708.3 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 33488.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21130 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 26832.5 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 26601.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26601.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29849.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29847 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 26832.5 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 16930.1 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 25118.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18995.9 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 4099.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21313.8 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 4283.2 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 4338.2 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 8684.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23914.5 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 1195.2 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 1361.3 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 3482.2 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 1362.1 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 8912.5 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 5011.9 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 NPC241949 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
0.8033 Intermediate Similarity NPC72722
0.7612 Intermediate Similarity NPC469923
0.7571 Intermediate Similarity NPC469925
0.75 Intermediate Similarity NPC474552
0.7463 Intermediate Similarity NPC469921
0.7377 Intermediate Similarity NPC293378
0.7313 Intermediate Similarity NPC475821
0.7313 Intermediate Similarity NPC469924
0.7286 Intermediate Similarity NPC476330
0.7231 Intermediate Similarity NPC68743
0.7231 Intermediate Similarity NPC60830
0.7213 Intermediate Similarity NPC477878
0.7213 Intermediate Similarity NPC324793
0.7188 Intermediate Similarity NPC65985
0.7164 Intermediate Similarity NPC179624
0.7143 Intermediate Similarity NPC474003
0.7121 Intermediate Similarity NPC198377
0.7083 Intermediate Similarity NPC286842
0.7059 Intermediate Similarity NPC472020
0.7059 Intermediate Similarity NPC226602
0.7059 Intermediate Similarity NPC472019
0.7059 Intermediate Similarity NPC470363
0.7049 Intermediate Similarity NPC21844
0.6986 Remote Similarity NPC319007
0.6986 Remote Similarity NPC82315
0.6974 Remote Similarity NPC317212
0.6957 Remote Similarity NPC472021
0.6923 Remote Similarity NPC19676
0.6923 Remote Similarity NPC323401
0.6885 Remote Similarity NPC314679
0.6883 Remote Similarity NPC228411
0.6857 Remote Similarity NPC469922
0.6842 Remote Similarity NPC473699
0.6842 Remote Similarity NPC475232
0.6842 Remote Similarity NPC474100
0.6842 Remote Similarity NPC51249
0.6842 Remote Similarity NPC473775
0.6842 Remote Similarity NPC475260
0.6818 Remote Similarity NPC6883
0.6806 Remote Similarity NPC215987
0.6806 Remote Similarity NPC469926
0.6806 Remote Similarity NPC306805
0.6761 Remote Similarity NPC235788
0.6721 Remote Similarity NPC55023
0.6711 Remote Similarity NPC96322
0.6709 Remote Similarity NPC108014
0.6667 Remote Similarity NPC28526
0.6667 Remote Similarity NPC65359
0.6667 Remote Similarity NPC314103
0.6628 Remote Similarity NPC53158
0.6625 Remote Similarity NPC475616
0.6625 Remote Similarity NPC470014
0.6591 Remote Similarity NPC469627
0.6588 Remote Similarity NPC476717
0.6582 Remote Similarity NPC474020
0.6575 Remote Similarity NPC469791
0.6556 Remote Similarity NPC470191
0.6556 Remote Similarity NPC475900
0.6533 Remote Similarity NPC470956
0.65 Remote Similarity NPC83108
0.65 Remote Similarity NPC122847
0.65 Remote Similarity NPC214030
0.65 Remote Similarity NPC469867
0.6462 Remote Similarity NPC90904
0.6456 Remote Similarity NPC179922
0.6444 Remote Similarity NPC309127
0.6444 Remote Similarity NPC247877
0.642 Remote Similarity NPC476986
0.642 Remote Similarity NPC470905
0.64 Remote Similarity NPC53879
0.64 Remote Similarity NPC57788
0.6393 Remote Similarity NPC310220
0.6375 Remote Similarity NPC469514
0.6374 Remote Similarity NPC322188
0.6364 Remote Similarity NPC477443
0.6364 Remote Similarity NPC470268
0.6364 Remote Similarity NPC477440
0.6351 Remote Similarity NPC230047
0.6351 Remote Similarity NPC19311
0.6344 Remote Similarity NPC274695
0.6341 Remote Similarity NPC19841
0.6338 Remote Similarity NPC17935
0.6333 Remote Similarity NPC475788
0.6329 Remote Similarity NPC215030
0.6324 Remote Similarity NPC469937
0.6324 Remote Similarity NPC320588
0.6324 Remote Similarity NPC53463
0.6324 Remote Similarity NPC319589
0.6324 Remote Similarity NPC23155
0.6322 Remote Similarity NPC314364
0.631 Remote Similarity NPC477936
0.631 Remote Similarity NPC477935
0.6308 Remote Similarity NPC476469
0.6304 Remote Similarity NPC39859
0.6304 Remote Similarity NPC476009
0.6304 Remote Similarity NPC158416
0.6304 Remote Similarity NPC470883
0.6304 Remote Similarity NPC76862
0.6296 Remote Similarity NPC169389
0.6296 Remote Similarity NPC281296
0.6296 Remote Similarity NPC120776
0.6296 Remote Similarity NPC240170
0.6292 Remote Similarity NPC316228
0.6292 Remote Similarity NPC263977
0.6292 Remote Similarity NPC477442
0.6292 Remote Similarity NPC477444
0.6292 Remote Similarity NPC477433
0.629 Remote Similarity NPC74845
0.6286 Remote Similarity NPC61567
0.6282 Remote Similarity NPC311102
0.6282 Remote Similarity NPC472309
0.6282 Remote Similarity NPC470243
0.6279 Remote Similarity NPC476715
0.6279 Remote Similarity NPC51267
0.6279 Remote Similarity NPC131350
0.6269 Remote Similarity NPC277878
0.6264 Remote Similarity NPC206878
0.625 Remote Similarity NPC217725
0.625 Remote Similarity NPC132064
0.625 Remote Similarity NPC471221
0.625 Remote Similarity NPC201046
0.6237 Remote Similarity NPC278028
0.6237 Remote Similarity NPC328180
0.6234 Remote Similarity NPC98711
0.623 Remote Similarity NPC149184
0.623 Remote Similarity NPC216630
0.623 Remote Similarity NPC248763
0.623 Remote Similarity NPC307783
0.623 Remote Similarity NPC209970
0.623 Remote Similarity NPC196924
0.623 Remote Similarity NPC171736
0.623 Remote Similarity NPC325452
0.6222 Remote Similarity NPC327515
0.622 Remote Similarity NPC218817
0.622 Remote Similarity NPC121200
0.622 Remote Similarity NPC11796
0.6216 Remote Similarity NPC53642
0.6216 Remote Similarity NPC470325
0.6207 Remote Similarity NPC475491
0.6207 Remote Similarity NPC92139
0.6207 Remote Similarity NPC120395
0.6207 Remote Similarity NPC469626
0.6196 Remote Similarity NPC287354
0.6196 Remote Similarity NPC62407
0.6184 Remote Similarity NPC41542
0.618 Remote Similarity NPC56962
0.618 Remote Similarity NPC24705
0.6176 Remote Similarity NPC196612
0.6163 Remote Similarity NPC79308
0.6163 Remote Similarity NPC477434
0.6163 Remote Similarity NPC473791
0.6163 Remote Similarity NPC115995
0.6154 Remote Similarity NPC131770
0.6154 Remote Similarity NPC200618
0.6145 Remote Similarity NPC82488
0.6145 Remote Similarity NPC308545
0.6136 Remote Similarity NPC51662
0.6136 Remote Similarity NPC197333
0.6129 Remote Similarity NPC67462
0.6129 Remote Similarity NPC469528
0.6129 Remote Similarity NPC469369
0.6129 Remote Similarity NPC31645
0.6125 Remote Similarity NPC125164
0.6125 Remote Similarity NPC477930
0.6125 Remote Similarity NPC477867
0.6122 Remote Similarity NPC469441
0.6122 Remote Similarity NPC228311
0.6122 Remote Similarity NPC41674
0.6118 Remote Similarity NPC474605
0.6118 Remote Similarity NPC476292
0.6118 Remote Similarity NPC475395
0.6118 Remote Similarity NPC476984
0.6104 Remote Similarity NPC476629
0.6098 Remote Similarity NPC477918
0.6098 Remote Similarity NPC477919
0.6098 Remote Similarity NPC112463
0.6098 Remote Similarity NPC180199
0.6092 Remote Similarity NPC477445
0.6092 Remote Similarity NPC478111
0.6082 Remote Similarity NPC475873
0.6076 Remote Similarity NPC478227
0.6071 Remote Similarity NPC103634
0.6067 Remote Similarity NPC269677
0.6067 Remote Similarity NPC315911
0.6066 Remote Similarity NPC240109
0.6064 Remote Similarity NPC474313
0.6064 Remote Similarity NPC470632
0.6064 Remote Similarity NPC323421
0.6064 Remote Similarity NPC74466
0.6064 Remote Similarity NPC328562
0.6061 Remote Similarity NPC469787
0.6061 Remote Similarity NPC469788
0.6061 Remote Similarity NPC290247
0.6049 Remote Similarity NPC179858
0.6049 Remote Similarity NPC477934
0.6049 Remote Similarity NPC155441
0.6049 Remote Similarity NPC199445
0.6047 Remote Similarity NPC476721
0.6047 Remote Similarity NPC320936
0.6047 Remote Similarity NPC472847

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC241949 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
0.7391 Intermediate Similarity NPD7909 Approved
0.7377 Intermediate Similarity NPD9126 Approved
0.7377 Intermediate Similarity NPD71 Approved
0.7377 Intermediate Similarity NPD9129 Approved
0.7213 Intermediate Similarity NPD9124 Approved
0.7213 Intermediate Similarity NPD9123 Approved
0.7213 Intermediate Similarity NPD9125 Approved
0.7213 Intermediate Similarity NPD9128 Approved
0.7213 Intermediate Similarity NPD9122 Approved
0.7213 Intermediate Similarity NPD109 Approved
0.7213 Intermediate Similarity NPD9121 Approved
0.7213 Intermediate Similarity NPD9130 Phase 3
0.7213 Intermediate Similarity NPD9127 Approved
0.7213 Intermediate Similarity NPD108 Approved
0.7213 Intermediate Similarity NPD70 Approved
0.6885 Remote Similarity NPD634 Phase 3
0.6818 Remote Similarity NPD615 Clinical (unspecified phase)
0.6769 Remote Similarity NPD3186 Phase 1
0.6618 Remote Similarity NPD73 Approved
0.6571 Remote Similarity NPD3198 Approved
0.6567 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6506 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6364 Remote Similarity NPD9638 Phase 2
0.6324 Remote Similarity NPD3728 Approved
0.6324 Remote Similarity NPD3730 Approved
0.6269 Remote Similarity NPD9008 Approved
0.6269 Remote Similarity NPD9010 Approved
0.6269 Remote Similarity NPD64 Approved
0.6269 Remote Similarity NPD72 Approved
0.6269 Remote Similarity NPD9011 Approved
0.6269 Remote Similarity NPD65 Approved
0.6269 Remote Similarity NPD66 Approved
0.6269 Remote Similarity NPD9009 Approved
0.6269 Remote Similarity NPD9007 Approved
0.6269 Remote Similarity NPD8960 Approved
0.623 Remote Similarity NPD2270 Approved
0.622 Remote Similarity NPD4802 Phase 2
0.622 Remote Similarity NPD4238 Approved
0.6076 Remote Similarity NPD6081 Approved
0.602 Remote Similarity NPD4056 Clinical (unspecified phase)
0.602 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6 Remote Similarity NPD5369 Approved
0.5938 Remote Similarity NPD3199 Clinical (unspecified phase)
0.5921 Remote Similarity NPD9496 Clinical (unspecified phase)
0.5902 Remote Similarity NPD77 Approved
0.5902 Remote Similarity NPD9448 Phase 2
0.5902 Remote Similarity NPD633 Phase 3
0.5902 Remote Similarity NPD9655 Approved
0.5902 Remote Similarity NPD9450 Approved
0.5897 Remote Similarity NPD229 Approved
0.5882 Remote Similarity NPD5368 Approved
0.5873 Remote Similarity NPD387 Clinical (unspecified phase)
0.587 Remote Similarity NPD7983 Approved
0.5844 Remote Similarity NPD4224 Phase 2
0.5843 Remote Similarity NPD5786 Approved
0.5842 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5833 Remote Similarity NPD8959 Approved
0.5747 Remote Similarity NPD4270 Approved
0.5747 Remote Similarity NPD6435 Approved
0.5747 Remote Similarity NPD4269 Approved
0.5747 Remote Similarity NPD7345 Approved
0.5743 Remote Similarity NPD7899 Clinical (unspecified phase)
0.5738 Remote Similarity NPD3206 Approved
0.5714 Remote Similarity NPD7341 Phase 2
0.5714 Remote Similarity NPD1700 Approved
0.5714 Remote Similarity NPD6116 Phase 1
0.5672 Remote Similarity NPD9005 Phase 3
0.5672 Remote Similarity NPD9003 Clinical (unspecified phase)
0.5672 Remote Similarity NPD9004 Approved
0.5672 Remote Similarity NPD6125 Clinical (unspecified phase)
0.5663 Remote Similarity NPD3702 Approved
0.5657 Remote Similarity NPD8085 Approved
0.5657 Remote Similarity NPD8084 Approved
0.5657 Remote Similarity NPD8082 Approved
0.5657 Remote Similarity NPD8086 Approved
0.5657 Remote Similarity NPD8138 Approved
0.5657 Remote Similarity NPD8139 Approved
0.5657 Remote Similarity NPD8083 Approved
0.5652 Remote Similarity NPD9001 Clinical (unspecified phase)
0.5652 Remote Similarity NPD9002 Approved
0.5647 Remote Similarity NPD6114 Approved
0.5647 Remote Similarity NPD6697 Approved
0.5647 Remote Similarity NPD6118 Approved
0.5647 Remote Similarity NPD6115 Approved
0.5644 Remote Similarity NPD8393 Approved
0.56 Remote Similarity NPD8276 Approved
0.56 Remote Similarity NPD8275 Approved

Structure

External Identifiers

PubChem CID   12629
ChEMBL   CHEMBL78764
ZINC  

Physicochemical Properties

Molecular Weight:  416.28
ALogP:  -5.2996
MLogP:  3.11
XLogP:  6.581
# Rotatable Bonds:  25
Polar Surface Area:  132.13
# H-Bond Aceptor:  7
# H-Bond Donor:  4
# Rings:  0
# Heavy Atoms:  29

Download Data

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