Drug Information

Drug ID:  NPD7180
Drug Name:  Muraglitazar
Molecular Formula:  C29H28N2O7
Canonical SMILES:  COc1ccc(cc1)OC(=O)N(Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1)CC(=O)O
Standard InCHI:  InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33)
Standard InCHIKey:  IRLWJILLXJGJTD-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7180

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
Intermediate Similarity 0.7876 NPC477589
Intermediate Similarity 0.7876 NPC477587
Intermediate Similarity 0.7864 NPC314633
Intermediate Similarity 0.7835 NPC161801
Intermediate Similarity 0.7807 NPC477590
Intermediate Similarity 0.7807 NPC477588
Intermediate Similarity 0.7807 NPC477585
Intermediate Similarity 0.7807 NPC477586
Intermediate Similarity 0.7604 NPC146418
Intermediate Similarity 0.7535 NPC472287
Intermediate Similarity 0.7535 NPC472286
Intermediate Similarity 0.7511 NPC329631
Intermediate Similarity 0.7489 NPC194740
Intermediate Similarity 0.7467 NPC196718
Intermediate Similarity 0.7399 NPC131885
Intermediate Similarity 0.7397 NPC129897
Intermediate Similarity 0.7391 NPC102593
Intermediate Similarity 0.7386 NPC318068
Intermediate Similarity 0.7336 NPC274640
Intermediate Similarity 0.7333 NPC323969
Intermediate Similarity 0.733 NPC38237
Intermediate Similarity 0.7313 NPC205372
Intermediate Similarity 0.729 NPC472284
Intermediate Similarity 0.7273 NPC474688
Intermediate Similarity 0.7269 NPC144452
Intermediate Similarity 0.7265 NPC50562
Intermediate Similarity 0.7257 NPC54066
Intermediate Similarity 0.7255 NPC286195
Intermediate Similarity 0.7246 NPC475844
Intermediate Similarity 0.7244 NPC184408
Intermediate Similarity 0.724 NPC269367
Intermediate Similarity 0.7232 NPC67658
Intermediate Similarity 0.7224 NPC185197
Intermediate Similarity 0.722 NPC39500
Intermediate Similarity 0.7217 NPC140296
Intermediate Similarity 0.7212 NPC298436
Intermediate Similarity 0.7205 NPC97746
Intermediate Similarity 0.7197 NPC58209
Intermediate Similarity 0.7188 NPC146976
Intermediate Similarity 0.7185 NPC75179
Intermediate Similarity 0.7185 NPC316224
Intermediate Similarity 0.7183 NPC230403
Intermediate Similarity 0.7182 NPC321428
Intermediate Similarity 0.7179 NPC34770
Intermediate Similarity 0.7179 NPC39370
Intermediate Similarity 0.7178 NPC165964
Intermediate Similarity 0.7177 NPC241025
Intermediate Similarity 0.7156 NPC295898
Intermediate Similarity 0.7149 NPC470042
Intermediate Similarity 0.7143 NPC236668
Intermediate Similarity 0.7143 NPC186351
Intermediate Similarity 0.7143 NPC166712
Intermediate Similarity 0.7137 NPC168209
Intermediate Similarity 0.7137 NPC315804
Intermediate Similarity 0.7137 NPC313804
Intermediate Similarity 0.7124 NPC476999
Intermediate Similarity 0.7113 NPC160100
Intermediate Similarity 0.7111 NPC16066
Intermediate Similarity 0.7107 NPC203373
Intermediate Similarity 0.7105 NPC128115
Intermediate Similarity 0.7097 NPC230683
Intermediate Similarity 0.7094 NPC473186
Intermediate Similarity 0.7093 NPC303658
Intermediate Similarity 0.7082 NPC196449
Intermediate Similarity 0.7082 NPC314222
Intermediate Similarity 0.7067 NPC324361
Intermediate Similarity 0.7064 NPC284888
Intermediate Similarity 0.7061 NPC208084
Intermediate Similarity 0.7054 NPC87413
Intermediate Similarity 0.7051 NPC260434
Intermediate Similarity 0.7048 NPC246658
Intermediate Similarity 0.7046 NPC476995
Intermediate Similarity 0.7043 NPC478141
Intermediate Similarity 0.7043 NPC175150
Intermediate Similarity 0.7043 NPC243633
Intermediate Similarity 0.7042 NPC208364
Intermediate Similarity 0.7039 NPC471762
Intermediate Similarity 0.7035 NPC477979
Intermediate Similarity 0.7032 NPC470586
Intermediate Similarity 0.7031 NPC225279
Intermediate Similarity 0.7029 NPC148889
Intermediate Similarity 0.7027 NPC4687
Intermediate Similarity 0.7022 NPC474428
Intermediate Similarity 0.7018 NPC174576
Intermediate Similarity 0.7013 NPC51388
Intermediate Similarity 0.7009 NPC470020
Intermediate Similarity 0.7 NPC124300
Remote Similarity 0.6987 NPC288987
Remote Similarity 0.6983 NPC179287
Remote Similarity 0.6979 NPC474701
Remote Similarity 0.6978 NPC187501
Remote Similarity 0.6975 NPC184680
Remote Similarity 0.6974 NPC305984
Remote Similarity 0.6971 NPC188400
Remote Similarity 0.6971 NPC291609
Remote Similarity 0.697 NPC216612
Remote Similarity 0.6968 NPC317572
Remote Similarity 0.6966 NPC66777
Remote Similarity 0.6963 NPC144381
Remote Similarity 0.696 NPC118228
Remote Similarity 0.696 NPC209981
Remote Similarity 0.6958 NPC119134
Remote Similarity 0.6958 NPC49672
Remote Similarity 0.6953 NPC24370
Remote Similarity 0.6953 NPC319232
Remote Similarity 0.6947 NPC264176
Remote Similarity 0.6947 NPC472098
Remote Similarity 0.6946 NPC470785
Remote Similarity 0.6944 NPC475190
Remote Similarity 0.6936 NPC95240
Remote Similarity 0.6935 NPC258048
Remote Similarity 0.693 NPC322064
Remote Similarity 0.693 NPC148183
Remote Similarity 0.693 NPC152768
Remote Similarity 0.6926 NPC173250
Remote Similarity 0.6926 NPC198503
Remote Similarity 0.6926 NPC121069
Remote Similarity 0.6923 NPC472435
Remote Similarity 0.6923 NPC257851
Remote Similarity 0.6923 NPC34580
Remote Similarity 0.6923 NPC124920
Remote Similarity 0.6923 NPC118559
Remote Similarity 0.6923 NPC304307
Remote Similarity 0.692 NPC287208
Remote Similarity 0.692 NPC22481
Remote Similarity 0.6914 NPC310618
Remote Similarity 0.691 NPC473449
Remote Similarity 0.6907 NPC217176
Remote Similarity 0.6905 NPC271792
Remote Similarity 0.6904 NPC15801
Remote Similarity 0.6901 NPC194040
Remote Similarity 0.69 NPC169402
Remote Similarity 0.6898 NPC471448
Remote Similarity 0.6895 NPC120513
Remote Similarity 0.6894 NPC476997
Remote Similarity 0.6894 NPC100547
Remote Similarity 0.6892 NPC475774
Remote Similarity 0.6883 NPC244543
Remote Similarity 0.6883 NPC174760
Remote Similarity 0.6883 NPC472099
Remote Similarity 0.688 NPC470018
Remote Similarity 0.6878 NPC321592
Remote Similarity 0.6878 NPC49547
Remote Similarity 0.6878 NPC54803
Remote Similarity 0.6875 NPC101350
Remote Similarity 0.6875 NPC249583
Remote Similarity 0.6875 NPC474183
Remote Similarity 0.6875 NPC470784
Remote Similarity 0.6872 NPC208522
Remote Similarity 0.687 NPC49195
Remote Similarity 0.687 NPC67401
Remote Similarity 0.687 NPC473041
Remote Similarity 0.687 NPC181081
Remote Similarity 0.6864 NPC223409
Remote Similarity 0.6864 NPC476998
Remote Similarity 0.6864 NPC24019
Remote Similarity 0.6864 NPC476996
Remote Similarity 0.6864 NPC220408
Remote Similarity 0.6864 NPC322135
Remote Similarity 0.6864 NPC123395
Remote Similarity 0.6854 NPC295158
Remote Similarity 0.6853 NPC280799
Remote Similarity 0.6853 NPC282346
Remote Similarity 0.6851 NPC261251
Remote Similarity 0.6851 NPC157931
Remote Similarity 0.6851 NPC74575
Remote Similarity 0.6849 NPC141053
Remote Similarity 0.6849 NPC323198
Remote Similarity 0.6849 NPC323752
Remote Similarity 0.6844 NPC470280
Remote Similarity 0.6844 NPC39679
Remote Similarity 0.6842 NPC232225
Remote Similarity 0.6842 NPC250448
Remote Similarity 0.684 NPC472436
Remote Similarity 0.6838 NPC21638
Remote Similarity 0.6835 NPC14288
Remote Similarity 0.6835 NPC93390
Remote Similarity 0.6834 NPC172355
Remote Similarity 0.6833 NPC285343
Remote Similarity 0.6833 NPC189903
Remote Similarity 0.6833 NPC235685
Remote Similarity 0.6833 NPC182907
Remote Similarity 0.683 NPC300156
Remote Similarity 0.6826 NPC312645
Remote Similarity 0.6824 NPC210434
Remote Similarity 0.6822 NPC476994
Remote Similarity 0.682 NPC469961
Remote Similarity 0.682 NPC208898
Remote Similarity 0.682 NPC253675
Remote Similarity 0.6812 NPC116238
Remote Similarity 0.681 NPC150239
Remote Similarity 0.6809 NPC214142
Remote Similarity 0.6808 NPC320394
Remote Similarity 0.6802 NPC313587
Remote Similarity 0.6802 NPC315893
Remote Similarity 0.6802 NPC316110
Remote Similarity 0.6802 NPC473188
Remote Similarity 0.6795 NPC122436
Remote Similarity 0.6795 NPC322482
Remote Similarity 0.6793 NPC278525

Drug Structure

External Identifiers

TTD   DNC005671
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   206044
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  516.19
ALogP  -0.7109
MLogP  3.66
XLogP  6.947
HDA  5
HBD  1
Rotatable Bonds  16
TPSA  111.33
RO5 Violation  2