Drug Information

Drug ID:  NPD4249
Drug Name:  Epoprostenol Sodium
Molecular Formula:  C20H32O5.Na
Canonical SMILES:  CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)[O-])/O2)O.[Na+]
Standard InCHI:  InChI=1S/C20H32O5.Na/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22;/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24);/q;+1/p-1/b11-10+,15-8-;/t14-,16+,17+,18+,19-;/m0./s1
Standard InCHIKey:  LMHIPJMTZHDKEW-XQYLJSSYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4249

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 0.9877 NPC316629
High Similarity 0.8902 NPC316844
High Similarity 0.8765 NPC323249
High Similarity 0.8765 NPC39547
High Similarity 0.8765 NPC260814
High Similarity 0.8765 NPC27949
Intermediate Similarity 0.8452 NPC88735
Intermediate Similarity 0.8235 NPC191711
Intermediate Similarity 0.8085 NPC161493
Intermediate Similarity 0.8065 NPC213698
Intermediate Similarity 0.8065 NPC170120
Intermediate Similarity 0.8 NPC55304
Intermediate Similarity 0.8 NPC226226
Intermediate Similarity 0.7979 NPC213078
Intermediate Similarity 0.7957 NPC127019
Intermediate Similarity 0.7935 NPC475925
Intermediate Similarity 0.7872 NPC67584
Intermediate Similarity 0.7872 NPC52044
Intermediate Similarity 0.7841 NPC128246
Intermediate Similarity 0.7835 NPC150923
Intermediate Similarity 0.7812 NPC221615
Intermediate Similarity 0.7791 NPC201225
Intermediate Similarity 0.7789 NPC24956
Intermediate Similarity 0.7789 NPC18019
Intermediate Similarity 0.7778 NPC278283
Intermediate Similarity 0.7778 NPC477668
Intermediate Similarity 0.7778 NPC184461
Intermediate Similarity 0.7727 NPC7414
Intermediate Similarity 0.7701 NPC115418
Intermediate Similarity 0.7692 NPC475405
Intermediate Similarity 0.7684 NPC304886
Intermediate Similarity 0.7647 NPC279537
Intermediate Similarity 0.764 NPC477667
Intermediate Similarity 0.764 NPC111409
Intermediate Similarity 0.7614 NPC47031
Intermediate Similarity 0.7614 NPC126248
Intermediate Similarity 0.7609 NPC217983
Intermediate Similarity 0.7609 NPC475712
Intermediate Similarity 0.7609 NPC207114
Intermediate Similarity 0.7579 NPC470013
Intermediate Similarity 0.7579 NPC470010
Intermediate Similarity 0.7579 NPC198853
Intermediate Similarity 0.7579 NPC323008
Intermediate Similarity 0.7579 NPC262133
Intermediate Similarity 0.7556 NPC32676
Intermediate Similarity 0.7553 NPC29821
Intermediate Similarity 0.7553 NPC171360
Intermediate Similarity 0.7553 NPC57304
Intermediate Similarity 0.7553 NPC35959
Intermediate Similarity 0.7553 NPC133888
Intermediate Similarity 0.7553 NPC472468
Intermediate Similarity 0.7553 NPC63193
Intermediate Similarity 0.7553 NPC293001
Intermediate Similarity 0.7528 NPC474252
Intermediate Similarity 0.7526 NPC472290
Intermediate Similarity 0.75 NPC477085
Intermediate Similarity 0.7447 NPC19087
Intermediate Similarity 0.7447 NPC475855
Intermediate Similarity 0.7447 NPC37607
Intermediate Similarity 0.7447 NPC35809
Intermediate Similarity 0.7447 NPC297474
Intermediate Similarity 0.7447 NPC472466
Intermediate Similarity 0.7447 NPC54065
Intermediate Similarity 0.7447 NPC216284
Intermediate Similarity 0.7447 NPC301969
Intermediate Similarity 0.7444 NPC116543
Intermediate Similarity 0.7416 NPC470241
Intermediate Similarity 0.7416 NPC52861
Intermediate Similarity 0.7396 NPC90453
Intermediate Similarity 0.7396 NPC472467
Intermediate Similarity 0.7396 NPC477131
Intermediate Similarity 0.7391 NPC187661
Intermediate Similarity 0.7391 NPC478112
Intermediate Similarity 0.7386 NPC475210
Intermediate Similarity 0.7386 NPC86971
Intermediate Similarity 0.7381 NPC477086
Intermediate Similarity 0.7381 NPC477087
Intermediate Similarity 0.7379 NPC117604
Intermediate Similarity 0.7368 NPC184063
Intermediate Similarity 0.7368 NPC131209
Intermediate Similarity 0.7368 NPC133698
Intermediate Similarity 0.7363 NPC475732
Intermediate Similarity 0.7363 NPC476804
Intermediate Similarity 0.7363 NPC212363
Intermediate Similarity 0.7356 NPC474278
Intermediate Similarity 0.734 NPC38392
Intermediate Similarity 0.734 NPC478110
Intermediate Similarity 0.734 NPC215556
Intermediate Similarity 0.734 NPC155935
Intermediate Similarity 0.734 NPC295312
Intermediate Similarity 0.7333 NPC89555
Intermediate Similarity 0.7327 NPC124881
Intermediate Similarity 0.7327 NPC474775
Intermediate Similarity 0.732 NPC472873
Intermediate Similarity 0.732 NPC476053
Intermediate Similarity 0.7312 NPC160138
Intermediate Similarity 0.7312 NPC477959
Intermediate Similarity 0.7312 NPC237540
Intermediate Similarity 0.73 NPC171759
Intermediate Similarity 0.7292 NPC40821
Intermediate Similarity 0.7292 NPC475912
Intermediate Similarity 0.7292 NPC32862
Intermediate Similarity 0.7292 NPC475788
Intermediate Similarity 0.7292 NPC475838
Intermediate Similarity 0.7292 NPC258216
Intermediate Similarity 0.7292 NPC228451
Intermediate Similarity 0.7292 NPC125674
Intermediate Similarity 0.7292 NPC272293
Intermediate Similarity 0.7283 NPC255307
Intermediate Similarity 0.7283 NPC242233
Intermediate Similarity 0.7263 NPC473448
Intermediate Similarity 0.7263 NPC478004
Intermediate Similarity 0.7263 NPC478003
Intermediate Similarity 0.7263 NPC144133
Intermediate Similarity 0.7263 NPC158388
Intermediate Similarity 0.7263 NPC179394
Intermediate Similarity 0.7253 NPC250315
Intermediate Similarity 0.7253 NPC131669
Intermediate Similarity 0.7253 NPC69469
Intermediate Similarity 0.7253 NPC40746
Intermediate Similarity 0.7253 NPC52923
Intermediate Similarity 0.7253 NPC473390
Intermediate Similarity 0.7253 NPC169575
Intermediate Similarity 0.7245 NPC113433
Intermediate Similarity 0.7234 NPC475819
Intermediate Similarity 0.7234 NPC79549
Intermediate Similarity 0.7234 NPC473715
Intermediate Similarity 0.7228 NPC189609
Intermediate Similarity 0.7228 NPC291500
Intermediate Similarity 0.7228 NPC140591
Intermediate Similarity 0.7228 NPC303653
Intermediate Similarity 0.7228 NPC197835
Intermediate Similarity 0.7228 NPC86077
Intermediate Similarity 0.7222 NPC24417
Intermediate Similarity 0.7216 NPC474247
Intermediate Similarity 0.7216 NPC474338
Intermediate Similarity 0.7216 NPC281775
Intermediate Similarity 0.7204 NPC305475
Intermediate Similarity 0.7204 NPC67493
Intermediate Similarity 0.7204 NPC64153
Intermediate Similarity 0.7204 NPC475461
Intermediate Similarity 0.72 NPC70865
Intermediate Similarity 0.7191 NPC321728
Intermediate Similarity 0.7191 NPC164308
Intermediate Similarity 0.7191 NPC139712
Intermediate Similarity 0.7188 NPC473150
Intermediate Similarity 0.7188 NPC294643
Intermediate Similarity 0.7188 NPC473321
Intermediate Similarity 0.7188 NPC155215
Intermediate Similarity 0.7188 NPC274274
Intermediate Similarity 0.7184 NPC243998
Intermediate Similarity 0.7184 NPC54737
Intermediate Similarity 0.7184 NPC60315
Intermediate Similarity 0.7176 NPC67076
Intermediate Similarity 0.7176 NPC319163
Intermediate Similarity 0.7174 NPC53011
Intermediate Similarity 0.7174 NPC191476
Intermediate Similarity 0.7174 NPC96259
Intermediate Similarity 0.7174 NPC158756
Intermediate Similarity 0.7174 NPC16887
Intermediate Similarity 0.7174 NPC141193
Intermediate Similarity 0.7174 NPC295799
Intermediate Similarity 0.7174 NPC194859
Intermediate Similarity 0.7174 NPC37005
Intermediate Similarity 0.7174 NPC224386
Intermediate Similarity 0.7174 NPC472957
Intermediate Similarity 0.7174 NPC165287
Intermediate Similarity 0.7174 NPC472958
Intermediate Similarity 0.7174 NPC154893
Intermediate Similarity 0.7174 NPC114979
Intermediate Similarity 0.7172 NPC477949
Intermediate Similarity 0.7172 NPC471150
Intermediate Similarity 0.7159 NPC476439
Intermediate Similarity 0.7159 NPC84360
Intermediate Similarity 0.7159 NPC7563
Intermediate Similarity 0.7159 NPC116177
Intermediate Similarity 0.7159 NPC320630
Intermediate Similarity 0.7158 NPC473564
Intermediate Similarity 0.7158 NPC93190
Intermediate Similarity 0.7158 NPC50464
Intermediate Similarity 0.7158 NPC474032
Intermediate Similarity 0.7157 NPC475623
Intermediate Similarity 0.7157 NPC473694
Intermediate Similarity 0.7157 NPC475334
Intermediate Similarity 0.7143 NPC220221
Intermediate Similarity 0.7143 NPC469873
Intermediate Similarity 0.7143 NPC36954
Intermediate Similarity 0.7143 NPC229825
Intermediate Similarity 0.7143 NPC37408
Intermediate Similarity 0.7143 NPC270013
Intermediate Similarity 0.7143 NPC54905
Intermediate Similarity 0.7143 NPC314009
Intermediate Similarity 0.7143 NPC14961
Intermediate Similarity 0.7129 NPC20673
Intermediate Similarity 0.7128 NPC24728
Intermediate Similarity 0.7128 NPC86005
Intermediate Similarity 0.7128 NPC191283
Intermediate Similarity 0.7126 NPC217725
Intermediate Similarity 0.7113 NPC179746
Intermediate Similarity 0.7113 NPC295204

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  351.22
ALogP  -3.5908
MLogP  3.11
XLogP  2.495
HDA  5
HBD  2
Rotatable Bonds  14
TPSA  89.82
RO5 Violation  0