Natural Product: NPC158388

Natural Product ID:  NPC158388
Common Name:   Ionomycin
IUPAC Name:   (4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-trihydroxy-22-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-4,6,8,12,14,18,20-heptamethyl-9-oxodocosa-10,16-dienoic acid
Synonyms:   Ionomycin
Molecular Formula:   C41H72O9
Standard InCHIKey:  PGHMRUGBZOYCAA-ADZNBVRBSA-N
Standard InCHI:  InChI=1S/C41H72O9/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42/h11,13,24-33,36-37,39,42-43,45,48H,12,14-23H2,1-10H3,(H,46,47)/b13-11+,34-24-/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36+,37-,39-,40+,41+/m1/s1
Canonical SMILES:  C[C@@H](C[C@H](/C(=C/C(=O)[C@H](C[C@H](C[C@@H](CCC(=O)O)C)C)C)/O)C)C/C=C/[C@H]([C@H]([C@H]([C@H](C[C@@H]1CC[C@@](O1)(C)[C@H]1CC[C@@](O1)(C)[C@H](O)C)O)C)O)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
NPO3606 Streptomyces conglobatus Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT791 Individual Protein Cruzipain Trypanosoma cruzi Potency = 7943.3 nM PubChem BioAssay data set
NPT791 Individual Protein Cruzipain Trypanosoma cruzi Potency = 6309.6 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 = 35481.3 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 6309.6 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 37650.5 nM PubChem BioAssay data set
NPT442 Individual Protein Ferritin light chain Equus caballus Potency = 28183.8 nM PubChem BioAssay data set
NPT55 Individual Protein Putative fructose-1,6-bisphosphate aldolase Giardia intestinalis Potency = 17740.7 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 398.1 nM PubChem BioAssay data set
NPT443 Individual Protein Histone acetyltransferase GCN5 Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 230 nM 23063400
NPT2982 Individual Protein Sn1-specific diacylglycerol lipase alpha Homo sapiens Activity = 15.66 nmol 23474898
NPT2982 Individual Protein Sn1-specific diacylglycerol lipase alpha Homo sapiens Activity = 3.99 nmol 23474898
NPT2982 Individual Protein Sn1-specific diacylglycerol lipase alpha Homo sapiens Activity = 0.37 nmol 23474898
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 31622.8 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 NPC158388 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 NPC478004
1.0 High Similarity NPC478003
0.8523 High Similarity NPC475206
0.8444 Intermediate Similarity NPC476708
0.8172 Intermediate Similarity NPC12172
0.8172 Intermediate Similarity NPC208886
0.8172 Intermediate Similarity NPC184463
0.8161 Intermediate Similarity NPC472948
0.814 Intermediate Similarity NPC3852
0.8125 Intermediate Similarity NPC476612
0.8125 Intermediate Similarity NPC476613
0.8105 Intermediate Similarity NPC36954
0.8085 Intermediate Similarity NPC179746
0.8085 Intermediate Similarity NPC81419
0.8085 Intermediate Similarity NPC476300
0.8065 Intermediate Similarity NPC476004
0.8065 Intermediate Similarity NPC474761
0.8061 Intermediate Similarity NPC476134
0.8061 Intermediate Similarity NPC101067
0.8041 Intermediate Similarity NPC187268
0.798 Intermediate Similarity NPC472754
0.7979 Intermediate Similarity NPC30515
0.7957 Intermediate Similarity NPC92974
0.7957 Intermediate Similarity NPC307411
0.7957 Intermediate Similarity NPC473564
0.7931 Intermediate Similarity NPC11796
0.7931 Intermediate Similarity NPC218817
0.7921 Intermediate Similarity NPC478038
0.7895 Intermediate Similarity NPC475912
0.7895 Intermediate Similarity NPC212486
0.7879 Intermediate Similarity NPC47880
0.7879 Intermediate Similarity NPC476611
0.7879 Intermediate Similarity NPC472753
0.7872 Intermediate Similarity NPC313670
0.7872 Intermediate Similarity NPC473448
0.7872 Intermediate Similarity NPC239517
0.7872 Intermediate Similarity NPC51004
0.7849 Intermediate Similarity NPC280621
0.7849 Intermediate Similarity NPC233551
0.7849 Intermediate Similarity NPC21208
0.7849 Intermediate Similarity NPC20339
0.7849 Intermediate Similarity NPC40376
0.7849 Intermediate Similarity NPC58219
0.7849 Intermediate Similarity NPC48338
0.7849 Intermediate Similarity NPC177629
0.7849 Intermediate Similarity NPC202672
0.7849 Intermediate Similarity NPC320458
0.7849 Intermediate Similarity NPC476706
0.7849 Intermediate Similarity NPC473905
0.7849 Intermediate Similarity NPC476707
0.7835 Intermediate Similarity NPC476315
0.7835 Intermediate Similarity NPC279621
0.7826 Intermediate Similarity NPC282815
0.7826 Intermediate Similarity NPC473840
0.7826 Intermediate Similarity NPC477015
0.7826 Intermediate Similarity NPC25703
0.7826 Intermediate Similarity NPC219652
0.7822 Intermediate Similarity NPC472756
0.7822 Intermediate Similarity NPC472748
0.7802 Intermediate Similarity NPC3464
0.7802 Intermediate Similarity NPC475963
0.7802 Intermediate Similarity NPC151176
0.78 Intermediate Similarity NPC474747
0.78 Intermediate Similarity NPC149371
0.78 Intermediate Similarity NPC86077
0.7766 Intermediate Similarity NPC40066
0.7766 Intermediate Similarity NPC477016
0.7766 Intermediate Similarity NPC91067
0.7766 Intermediate Similarity NPC42598
0.7766 Intermediate Similarity NPC93794
0.7766 Intermediate Similarity NPC81778
0.7766 Intermediate Similarity NPC473504
0.7766 Intermediate Similarity NPC318963
0.7766 Intermediate Similarity NPC477017
0.7766 Intermediate Similarity NPC20621
0.7755 Intermediate Similarity NPC40812
0.7753 Intermediate Similarity NPC200446
0.7745 Intermediate Similarity NPC472751
0.7745 Intermediate Similarity NPC472749
0.7742 Intermediate Similarity NPC179659
0.7742 Intermediate Similarity NPC178215
0.7742 Intermediate Similarity NPC476583
0.7742 Intermediate Similarity NPC160138
0.7742 Intermediate Similarity NPC258068
0.7742 Intermediate Similarity NPC186148
0.7742 Intermediate Similarity NPC248602
0.7742 Intermediate Similarity NPC20533
0.7732 Intermediate Similarity NPC270013
0.7732 Intermediate Similarity NPC14961
0.7732 Intermediate Similarity NPC304886
0.7723 Intermediate Similarity NPC472750
0.7723 Intermediate Similarity NPC472755
0.7723 Intermediate Similarity NPC475945
0.7723 Intermediate Similarity NPC472747
0.7723 Intermediate Similarity NPC475871
0.7717 Intermediate Similarity NPC322529
0.7717 Intermediate Similarity NPC329838
0.7717 Intermediate Similarity NPC9678
0.7717 Intermediate Similarity NPC329615
0.7717 Intermediate Similarity NPC39167
0.7717 Intermediate Similarity NPC25764
0.7717 Intermediate Similarity NPC477014
0.7717 Intermediate Similarity NPC473156
0.7717 Intermediate Similarity NPC470400
0.7717 Intermediate Similarity NPC473671
0.7717 Intermediate Similarity NPC39279
0.7717 Intermediate Similarity NPC292809
0.7717 Intermediate Similarity NPC77871
0.7717 Intermediate Similarity NPC235809
0.7717 Intermediate Similarity NPC202055
0.7717 Intermediate Similarity NPC477013
0.7717 Intermediate Similarity NPC471567
0.7717 Intermediate Similarity NPC120398
0.7717 Intermediate Similarity NPC475268
0.7717 Intermediate Similarity NPC319036
0.7708 Intermediate Similarity NPC478037
0.7708 Intermediate Similarity NPC478036
0.77 Intermediate Similarity NPC474742
0.77 Intermediate Similarity NPC9878
0.77 Intermediate Similarity NPC476270
0.7692 Intermediate Similarity NPC253801
0.7692 Intermediate Similarity NPC11620
0.7692 Intermediate Similarity NPC144415
0.7684 Intermediate Similarity NPC179394
0.7684 Intermediate Similarity NPC475855
0.7684 Intermediate Similarity NPC206614
0.7684 Intermediate Similarity NPC177668
0.7684 Intermediate Similarity NPC144133
0.7684 Intermediate Similarity NPC474323
0.7677 Intermediate Similarity NPC473326
0.7677 Intermediate Similarity NPC161855
0.767 Intermediate Similarity NPC26617
0.766 Intermediate Similarity NPC201046
0.766 Intermediate Similarity NPC171135
0.766 Intermediate Similarity NPC320569
0.766 Intermediate Similarity NPC100454
0.766 Intermediate Similarity NPC287164
0.766 Intermediate Similarity NPC89001
0.766 Intermediate Similarity NPC242364
0.766 Intermediate Similarity NPC309656
0.766 Intermediate Similarity NPC39754
0.766 Intermediate Similarity NPC133730
0.766 Intermediate Similarity NPC169511
0.766 Intermediate Similarity NPC61257
0.766 Intermediate Similarity NPC274446
0.766 Intermediate Similarity NPC191929
0.766 Intermediate Similarity NPC476704
0.766 Intermediate Similarity NPC87189
0.766 Intermediate Similarity NPC261952
0.766 Intermediate Similarity NPC228415
0.766 Intermediate Similarity NPC81045
0.766 Intermediate Similarity NPC234077
0.766 Intermediate Similarity NPC151403
0.766 Intermediate Similarity NPC172821
0.7647 Intermediate Similarity NPC100487
0.7647 Intermediate Similarity NPC203659
0.764 Intermediate Similarity NPC209995
0.7634 Intermediate Similarity NPC62118
0.7634 Intermediate Similarity NPC241360
0.7634 Intermediate Similarity NPC477010
0.7634 Intermediate Similarity NPC171174
0.7634 Intermediate Similarity NPC473687
0.7634 Intermediate Similarity NPC240695
0.7634 Intermediate Similarity NPC107717
0.7634 Intermediate Similarity NPC231096
0.7634 Intermediate Similarity NPC219498
0.7634 Intermediate Similarity NPC279267
0.7634 Intermediate Similarity NPC293136
0.7634 Intermediate Similarity NPC142117
0.7634 Intermediate Similarity NPC134807
0.7634 Intermediate Similarity NPC134865
0.7634 Intermediate Similarity NPC232555
0.7634 Intermediate Similarity NPC114694
0.7634 Intermediate Similarity NPC134885
0.7634 Intermediate Similarity NPC69082
0.7634 Intermediate Similarity NPC103523
0.7634 Intermediate Similarity NPC210218
0.7634 Intermediate Similarity NPC309211
0.7634 Intermediate Similarity NPC475581
0.7634 Intermediate Similarity NPC204686
0.7634 Intermediate Similarity NPC308412
0.7634 Intermediate Similarity NPC132940
0.7629 Intermediate Similarity NPC474247
0.7629 Intermediate Similarity NPC14322
0.7629 Intermediate Similarity NPC474035
0.7629 Intermediate Similarity NPC81386
0.7629 Intermediate Similarity NPC474338
0.7624 Intermediate Similarity NPC324017
0.7624 Intermediate Similarity NPC225353
0.7624 Intermediate Similarity NPC476235
0.7624 Intermediate Similarity NPC473596
0.7624 Intermediate Similarity NPC476126
0.7624 Intermediate Similarity NPC320019
0.7609 Intermediate Similarity NPC474780
0.7609 Intermediate Similarity NPC156804
0.7609 Intermediate Similarity NPC165287
0.7609 Intermediate Similarity NPC163093
0.7604 Intermediate Similarity NPC476705
0.7586 Intermediate Similarity NPC217725
0.7582 Intermediate Similarity NPC145914

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC158388 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
0.7872 Intermediate Similarity NPD46 Approved
0.7872 Intermediate Similarity NPD6698 Approved
0.7789 Intermediate Similarity NPD7983 Approved
0.7684 Intermediate Similarity NPD7838 Discovery
0.767 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7449 Intermediate Similarity NPD5282 Discontinued
0.7368 Intermediate Similarity NPD4250 Approved
0.7368 Intermediate Similarity NPD4251 Approved
0.7312 Intermediate Similarity NPD7154 Phase 3
0.7283 Intermediate Similarity NPD5369 Approved
0.7263 Intermediate Similarity NPD4249 Approved
0.7222 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD6435 Approved
0.713 Intermediate Similarity NPD6371 Approved
0.703 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.699 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6989 Remote Similarity NPD5368 Approved
0.6979 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6979 Remote Similarity NPD5363 Approved
0.6947 Remote Similarity NPD5362 Discontinued
0.6944 Remote Similarity NPD6686 Approved
0.6842 Remote Similarity NPD4270 Approved
0.6842 Remote Similarity NPD4269 Approved
0.6832 Remote Similarity NPD5779 Approved
0.6832 Remote Similarity NPD5778 Approved
0.6809 Remote Similarity NPD4819 Approved
0.6809 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6809 Remote Similarity NPD4820 Approved
0.6809 Remote Similarity NPD4821 Approved
0.6809 Remote Similarity NPD4822 Approved
0.68 Remote Similarity NPD5785 Approved
0.6796 Remote Similarity NPD7839 Suspended
0.6774 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6735 Remote Similarity NPD5786 Approved
0.67 Remote Similarity NPD6101 Approved
0.67 Remote Similarity NPD1695 Approved
0.67 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6698 Remote Similarity NPD5344 Discontinued
0.6697 Remote Similarity NPD6412 Phase 2
0.6696 Remote Similarity NPD6053 Discontinued
0.6696 Remote Similarity NPD8297 Approved
0.6632 Remote Similarity NPD4252 Approved
0.6628 Remote Similarity NPD3197 Phase 1
0.6596 Remote Similarity NPD4268 Approved
0.6596 Remote Similarity NPD4271 Approved
0.6581 Remote Similarity NPD6319 Approved
0.6571 Remote Similarity NPD6083 Phase 2
0.6571 Remote Similarity NPD6084 Phase 2
0.6569 Remote Similarity NPD6411 Approved
0.6552 Remote Similarity NPD7641 Discontinued
0.6525 Remote Similarity NPD8516 Approved
0.6525 Remote Similarity NPD8517 Approved
0.6525 Remote Similarity NPD8515 Approved
0.6525 Remote Similarity NPD8513 Phase 3
0.6509 Remote Similarity NPD4225 Approved
0.65 Remote Similarity NPD7492 Approved
0.6491 Remote Similarity NPD4632 Approved
0.6475 Remote Similarity NPD7736 Approved
0.6471 Remote Similarity NPD8080 Discontinued
0.6466 Remote Similarity NPD7115 Discovery
0.6446 Remote Similarity NPD6616 Approved
0.6442 Remote Similarity NPD7748 Approved
0.6441 Remote Similarity NPD6054 Approved
0.6437 Remote Similarity NPD7909 Approved
0.6429 Remote Similarity NPD5332 Approved
0.6429 Remote Similarity NPD6110 Phase 1
0.6429 Remote Similarity NPD5331 Approved
0.6393 Remote Similarity NPD7078 Approved
0.6393 Remote Similarity NPD8293 Discontinued
0.6392 Remote Similarity NPD4790 Discontinued
0.6381 Remote Similarity NPD5695 Phase 3
0.6355 Remote Similarity NPD7638 Approved
0.6346 Remote Similarity NPD6399 Phase 3
0.6339 Remote Similarity NPD6881 Approved
0.6339 Remote Similarity NPD6899 Approved
0.6339 Remote Similarity NPD7320 Approved
0.6333 Remote Similarity NPD6370 Approved
0.6325 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6316 Remote Similarity NPD8130 Phase 1
0.6316 Remote Similarity NPD6650 Approved
0.6316 Remote Similarity NPD6649 Approved
0.6311 Remote Similarity NPD7507 Approved
0.6306 Remote Similarity NPD6402 Approved
0.6306 Remote Similarity NPD7128 Approved
0.6306 Remote Similarity NPD5739 Approved
0.6306 Remote Similarity NPD6675 Approved
0.6306 Remote Similarity NPD6008 Approved
0.6303 Remote Similarity NPD6059 Approved
0.6296 Remote Similarity NPD7639 Approved
0.6296 Remote Similarity NPD7640 Approved
0.6296 Remote Similarity NPD6648 Approved
0.6292 Remote Similarity NPD7331 Phase 2
0.6283 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6283 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6283 Remote Similarity NPD6372 Approved
0.6283 Remote Similarity NPD6373 Approved
0.6281 Remote Similarity NPD7830 Approved
0.6281 Remote Similarity NPD7642 Approved
0.6281 Remote Similarity NPD8328 Phase 3
0.6281 Remote Similarity NPD7829 Approved
0.6275 Remote Similarity NPD6903 Approved
0.6262 Remote Similarity NPD7902 Approved
0.6261 Remote Similarity NPD6882 Approved
0.626 Remote Similarity NPD8074 Phase 3
0.625 Remote Similarity NPD7515 Phase 2
0.625 Remote Similarity NPD6016 Approved
0.625 Remote Similarity NPD8274 Clinical (unspecified phase)
0.625 Remote Similarity NPD8444 Approved
0.625 Remote Similarity NPD6015 Approved
0.625 Remote Similarity NPD5697 Approved
0.625 Remote Similarity NPD7637 Suspended
0.6238 Remote Similarity NPD7334 Approved
0.6238 Remote Similarity NPD6684 Approved
0.6238 Remote Similarity NPD7521 Approved
0.6238 Remote Similarity NPD7146 Approved
0.6238 Remote Similarity NPD6409 Approved
0.6238 Remote Similarity NPD5330 Approved
0.623 Remote Similarity NPD8299 Approved
0.623 Remote Similarity NPD8342 Approved
0.623 Remote Similarity NPD8341 Approved
0.623 Remote Similarity NPD8340 Approved
0.6228 Remote Similarity NPD7102 Approved
0.6228 Remote Similarity NPD7290 Approved
0.6228 Remote Similarity NPD6421 Discontinued
0.6228 Remote Similarity NPD6883 Approved
0.6214 Remote Similarity NPD5370 Suspended
0.6204 Remote Similarity NPD5696 Approved
0.6198 Remote Similarity NPD5988 Approved
0.6195 Remote Similarity NPD5345 Clinical (unspecified phase)
0.619 Remote Similarity NPD5781 Clinical (unspecified phase)
0.6186 Remote Similarity NPD6009 Approved
0.618 Remote Similarity NPD7341 Phase 2
0.6179 Remote Similarity NPD8273 Phase 1
0.6179 Remote Similarity NPD8451 Approved
0.6176 Remote Similarity NPD7524 Approved
0.6174 Remote Similarity NPD6869 Approved
0.6174 Remote Similarity NPD6847 Approved
0.6174 Remote Similarity NPD6617 Approved
0.616 Remote Similarity NPD7319 Approved
0.6148 Remote Similarity NPD7604 Phase 2
0.614 Remote Similarity NPD6014 Approved
0.614 Remote Similarity NPD6012 Approved
0.614 Remote Similarity NPD6013 Approved
0.6139 Remote Similarity NPD1694 Approved
0.6139 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6129 Remote Similarity NPD8448 Approved
0.6122 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6117 Remote Similarity NPD6672 Approved
0.6117 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6117 Remote Similarity NPD5737 Approved
0.6116 Remote Similarity NPD8033 Approved
0.6116 Remote Similarity NPD5983 Phase 2
0.6106 Remote Similarity NPD5701 Approved
0.6095 Remote Similarity NPD4810 Clinical (unspecified phase)
0.6087 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6077 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6075 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6068 Remote Similarity NPD8133 Approved
0.6058 Remote Similarity NPD4753 Phase 2
0.6053 Remote Similarity NPD6011 Approved
0.6048 Remote Similarity NPD6336 Discontinued
0.6044 Remote Similarity NPD4247 Clinical (unspecified phase)
0.604 Remote Similarity NPD3133 Approved
0.604 Remote Similarity NPD3665 Phase 1
0.604 Remote Similarity NPD3666 Approved
0.604 Remote Similarity NPD4786 Approved
0.6033 Remote Similarity NPD8377 Approved
0.6033 Remote Similarity NPD8294 Approved
0.6 Remote Similarity NPD7328 Approved
0.6 Remote Similarity NPD7327 Approved
0.6 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6 Remote Similarity NPD3667 Approved
0.6 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6 Remote Similarity NPD5207 Approved
0.5984 Remote Similarity NPD8390 Approved
0.5984 Remote Similarity NPD8392 Approved
0.5984 Remote Similarity NPD8391 Approved
0.5984 Remote Similarity NPD7503 Approved
0.5984 Remote Similarity NPD8379 Approved
0.5984 Remote Similarity NPD8296 Approved
0.5984 Remote Similarity NPD8378 Approved
0.5984 Remote Similarity NPD8335 Approved
0.5984 Remote Similarity NPD8380 Approved
0.5981 Remote Similarity NPD7900 Approved
0.5981 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5979 Remote Similarity NPD4756 Discovery
0.596 Remote Similarity NPD4695 Discontinued
0.5952 Remote Similarity NPD3194 Approved
0.5952 Remote Similarity NPD3195 Phase 2
0.5952 Remote Similarity NPD3196 Approved
0.5952 Remote Similarity NPD3728 Approved
0.5952 Remote Similarity NPD3730 Approved
0.5952 Remote Similarity NPD4266 Approved
0.595 Remote Similarity NPD7516 Approved
0.5948 Remote Similarity NPD4634 Approved
0.5943 Remote Similarity NPD5284 Approved
0.5943 Remote Similarity NPD6079 Approved
0.5943 Remote Similarity NPD5281 Approved
0.5941 Remote Similarity NPD6695 Phase 3
0.5938 Remote Similarity NPD8039 Approved

Structure

External Identifiers

PubChem CID   6912226
ChEMBL   CHEMBL501617
ZINC  

Physicochemical Properties

Molecular Weight:  708.52
ALogP:  -0.536
MLogP:  4.98
XLogP:  7.698
# Rotatable Bonds:  37
Polar Surface Area:  153.75
# H-Bond Aceptor:  9
# H-Bond Donor:  5
# Rings:  2
# Heavy Atoms:  50

Download Data

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