Drug Information

Drug ID:  NPD7853
Drug Name:  Farglitazar
Molecular Formula:  C34H30N2O5
Canonical SMILES:  OC(=O)[C@@H](Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1
Standard InCHI:  InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
Standard InCHIKey:  ZZCHHVUQYRMYLW-HKBQPEDESA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7853

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 0.8114 NPC196718
Intermediate Similarity 0.8085 NPC161801
Intermediate Similarity 0.8035 NPC102593
Intermediate Similarity 0.7991 NPC323969
Intermediate Similarity 0.7965 NPC314633
Intermediate Similarity 0.7897 NPC477589
Intermediate Similarity 0.7897 NPC477587
Intermediate Similarity 0.783 NPC477586
Intermediate Similarity 0.783 NPC477588
Intermediate Similarity 0.783 NPC477585
Intermediate Similarity 0.783 NPC477590
Intermediate Similarity 0.7795 NPC196449
Intermediate Similarity 0.7795 NPC314222
Intermediate Similarity 0.7749 NPC194740
Intermediate Similarity 0.7718 NPC165964
Intermediate Similarity 0.7655 NPC322064
Intermediate Similarity 0.7625 NPC208522
Intermediate Similarity 0.7617 NPC329631
Intermediate Similarity 0.7597 NPC274640
Intermediate Similarity 0.7588 NPC184408
Intermediate Similarity 0.7573 NPC475844
Intermediate Similarity 0.7533 NPC477979
Intermediate Similarity 0.7532 NPC144452
Intermediate Similarity 0.7532 NPC474688
Intermediate Similarity 0.7532 NPC260434
Intermediate Similarity 0.7511 NPC39370
Intermediate Similarity 0.751 NPC316224
Intermediate Similarity 0.75 NPC473186
Intermediate Similarity 0.7489 NPC39500
Intermediate Similarity 0.7479 NPC473187
Intermediate Similarity 0.7479 NPC257851
Intermediate Similarity 0.7468 NPC284888
Intermediate Similarity 0.746 NPC258048
Intermediate Similarity 0.7457 NPC478141
Intermediate Similarity 0.7455 NPC321428
Intermediate Similarity 0.7447 NPC471762
Intermediate Similarity 0.7436 NPC319232
Intermediate Similarity 0.7436 NPC24370
Intermediate Similarity 0.7426 NPC49547
Intermediate Similarity 0.7417 NPC101350
Intermediate Similarity 0.7401 NPC87413
Intermediate Similarity 0.7401 NPC146418
Intermediate Similarity 0.7398 NPC67401
Intermediate Similarity 0.7375 NPC235685
Intermediate Similarity 0.7375 NPC240384
Intermediate Similarity 0.7373 NPC66777
Intermediate Similarity 0.7371 NPC225279
Intermediate Similarity 0.7364 NPC182222
Intermediate Similarity 0.7359 NPC303658
Intermediate Similarity 0.7355 NPC148889
Intermediate Similarity 0.735 NPC51388
Intermediate Similarity 0.7342 NPC95240
Intermediate Similarity 0.7331 NPC124920
Intermediate Similarity 0.7331 NPC118559
Intermediate Similarity 0.7331 NPC34580
Intermediate Similarity 0.7331 NPC304307
Intermediate Similarity 0.7328 NPC208084
Intermediate Similarity 0.7328 NPC315893
Intermediate Similarity 0.7328 NPC288987
Intermediate Similarity 0.7328 NPC316110
Intermediate Similarity 0.7328 NPC313587
Intermediate Similarity 0.7325 NPC187501
Intermediate Similarity 0.7322 NPC323752
Intermediate Similarity 0.7319 NPC179287
Intermediate Similarity 0.7311 NPC474701
Intermediate Similarity 0.7309 NPC471944
Intermediate Similarity 0.7306 NPC230403
Intermediate Similarity 0.7304 NPC118228
Intermediate Similarity 0.7304 NPC50562
Intermediate Similarity 0.7303 NPC15801
Intermediate Similarity 0.7301 NPC4687
Intermediate Similarity 0.73 NPC100547
Intermediate Similarity 0.7296 NPC472099
Intermediate Similarity 0.7293 NPC38237
Intermediate Similarity 0.7284 NPC131885
Intermediate Similarity 0.7281 NPC269367
Intermediate Similarity 0.728 NPC478083
Intermediate Similarity 0.728 NPC472589
Intermediate Similarity 0.728 NPC321592
Intermediate Similarity 0.728 NPC54803
Intermediate Similarity 0.7277 NPC122436
Intermediate Similarity 0.7277 NPC205372
Intermediate Similarity 0.7273 NPC67658
Intermediate Similarity 0.7269 NPC223409
Intermediate Similarity 0.7269 NPC322135
Intermediate Similarity 0.7269 NPC472588
Intermediate Similarity 0.7258 NPC473188
Intermediate Similarity 0.7257 NPC261251
Intermediate Similarity 0.7257 NPC186351
Intermediate Similarity 0.7257 NPC157931
Intermediate Similarity 0.7257 NPC74575
Intermediate Similarity 0.725 NPC323198
Intermediate Similarity 0.7246 NPC97746
Intermediate Similarity 0.7244 NPC132385
Intermediate Similarity 0.7241 NPC27041
Intermediate Similarity 0.7238 NPC14288
Intermediate Similarity 0.7231 NPC184680
Intermediate Similarity 0.7222 NPC174760
Intermediate Similarity 0.7222 NPC216369
Intermediate Similarity 0.7215 NPC214142
Intermediate Similarity 0.7211 NPC53534
Intermediate Similarity 0.721 NPC473041
Intermediate Similarity 0.7208 NPC477516
Intermediate Similarity 0.7205 NPC123839
Intermediate Similarity 0.7202 NPC470785
Intermediate Similarity 0.7198 NPC74969
Intermediate Similarity 0.7198 NPC152768
Intermediate Similarity 0.7198 NPC148183
Intermediate Similarity 0.7197 NPC326363
Intermediate Similarity 0.7193 NPC39679
Intermediate Similarity 0.7191 NPC198503
Intermediate Similarity 0.7189 NPC181081
Intermediate Similarity 0.7184 NPC124300
Intermediate Similarity 0.7181 NPC472286
Intermediate Similarity 0.7181 NPC472287
Intermediate Similarity 0.7179 NPC168209
Intermediate Similarity 0.7179 NPC298436
Intermediate Similarity 0.7177 NPC91868
Intermediate Similarity 0.7177 NPC63971
Intermediate Similarity 0.7176 NPC152620
Intermediate Similarity 0.7173 NPC21638
Intermediate Similarity 0.7172 NPC41501
Intermediate Similarity 0.7167 NPC312645
Intermediate Similarity 0.7167 NPC169402
Intermediate Similarity 0.7167 NPC305984
Intermediate Similarity 0.7155 NPC16066
Intermediate Similarity 0.7154 NPC291609
Intermediate Similarity 0.7149 NPC132642
Intermediate Similarity 0.7149 NPC249583
Intermediate Similarity 0.7149 NPC245055
Intermediate Similarity 0.7149 NPC150239
Intermediate Similarity 0.7149 NPC33064
Intermediate Similarity 0.7137 NPC132539
Intermediate Similarity 0.7137 NPC174576
Intermediate Similarity 0.7131 NPC470784
Intermediate Similarity 0.7131 NPC244543
Intermediate Similarity 0.7126 NPC185197
Intermediate Similarity 0.7124 NPC295898
Intermediate Similarity 0.7119 NPC280799
Intermediate Similarity 0.7118 NPC470280
Intermediate Similarity 0.7118 NPC266249
Intermediate Similarity 0.7113 NPC140296
Intermediate Similarity 0.7113 NPC478078
Intermediate Similarity 0.7107 NPC473105
Intermediate Similarity 0.7105 NPC300156
Intermediate Similarity 0.7103 NPC472435
Intermediate Similarity 0.7102 NPC475816
Intermediate Similarity 0.7097 NPC58209
Intermediate Similarity 0.7097 NPC310618
Intermediate Similarity 0.7091 NPC144381
Intermediate Similarity 0.7089 NPC216612
Intermediate Similarity 0.7089 NPC243633
Intermediate Similarity 0.7089 NPC175150
Intermediate Similarity 0.7082 NPC116238
Intermediate Similarity 0.7078 NPC325976
Intermediate Similarity 0.7076 NPC128115
Intermediate Similarity 0.7071 NPC470018
Intermediate Similarity 0.7066 NPC474192
Intermediate Similarity 0.7066 NPC475720
Intermediate Similarity 0.7064 NPC96321
Intermediate Similarity 0.7064 NPC247803
Intermediate Similarity 0.7063 NPC329982
Intermediate Similarity 0.7061 NPC82472
Intermediate Similarity 0.7059 NPC191489
Intermediate Similarity 0.7056 NPC78609
Intermediate Similarity 0.7056 NPC286195
Intermediate Similarity 0.7054 NPC227824
Intermediate Similarity 0.7051 NPC36405
Intermediate Similarity 0.7049 NPC272549
Intermediate Similarity 0.7042 NPC473185
Intermediate Similarity 0.7039 NPC89508
Intermediate Similarity 0.7039 NPC324361
Intermediate Similarity 0.7037 NPC141053
Intermediate Similarity 0.7034 NPC313804
Intermediate Similarity 0.7034 NPC473179
Intermediate Similarity 0.7034 NPC315804
Intermediate Similarity 0.7034 NPC74360
Intermediate Similarity 0.7032 NPC194040
Intermediate Similarity 0.7025 NPC475253
Intermediate Similarity 0.7021 NPC293151
Intermediate Similarity 0.702 NPC472436
Intermediate Similarity 0.702 NPC129897
Intermediate Similarity 0.7018 NPC317572
Intermediate Similarity 0.7017 NPC220851
Intermediate Similarity 0.7016 NPC315634
Intermediate Similarity 0.7016 NPC100734
Intermediate Similarity 0.7016 NPC88923
Intermediate Similarity 0.7016 NPC160100
Intermediate Similarity 0.7016 NPC188400
Intermediate Similarity 0.7012 NPC311906
Intermediate Similarity 0.7008 NPC34770
Intermediate Similarity 0.7008 NPC172355
Remote Similarity 0.6996 NPC308137
Remote Similarity 0.6996 NPC264176
Remote Similarity 0.6996 NPC314882
Remote Similarity 0.6996 NPC474428
Remote Similarity 0.6996 NPC475190
Remote Similarity 0.6996 NPC310211
Remote Similarity 0.6996 NPC94157
Remote Similarity 0.6983 NPC470020

Drug Structure

External Identifiers

TTD   DNC007102
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   170364
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  546.22
ALogP  -1.1638
MLogP  4.43
XLogP  10.541
HDA  5
HBD  2
Rotatable Bonds  14
TPSA  101.66
RO5 Violation  2