Drug Information

Drug ID:  NPD7817
Drug Name:  Telinavir
Molecular Formula:  C33H44N6O5
Canonical SMILES:  CC(CN(C(=NC(C)(C)C)O)C[C@H]([C@@H](N=C([C@@H](NC(=O)c1ccc2c(n1)cccc2)CC(=N)O)O)Cc1ccccc1)O)C
Standard InCHI:  InChI=1S/C33H44N6O5/c1-21(2)19-39(32(44)38-33(3,4)5)20-28(40)26(17-22-11-7-6-8-12-22)36-31(43)27(18-29(34)41)37-30(42)25-16-15-23-13-9-10-14-24(23)35-25/h6-16,21,26-28,40H,17-20H2,1-5H3,(H2,34,41)(H,36,43)(H,37,42)(H,38,44)/t26-,27-,28+/m0/s1
Standard InCHIKey:  ZILOOGIOHVCEKS-HZFUHODCSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7817

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 0.7913 NPC471192
Intermediate Similarity 0.7854 NPC153980
Intermediate Similarity 0.7854 NPC6865
Intermediate Similarity 0.7854 NPC471194
Intermediate Similarity 0.7854 NPC471193
Intermediate Similarity 0.7822 NPC471191
Intermediate Similarity 0.7812 NPC133003
Intermediate Similarity 0.7805 NPC72956
Intermediate Similarity 0.7772 NPC94752
Intermediate Similarity 0.7751 NPC281049
Intermediate Similarity 0.7707 NPC162860
Intermediate Similarity 0.7668 NPC21429
Intermediate Similarity 0.7653 NPC64216
Intermediate Similarity 0.7614 NPC473763
Intermediate Similarity 0.7614 NPC117244
Intermediate Similarity 0.761 NPC54420
Intermediate Similarity 0.7596 NPC75634
Intermediate Similarity 0.7586 NPC155143
Intermediate Similarity 0.7563 NPC324091
Intermediate Similarity 0.7548 NPC320968
Intermediate Similarity 0.7537 NPC475506
Intermediate Similarity 0.7536 NPC478158
Intermediate Similarity 0.7526 NPC470205
Intermediate Similarity 0.7525 NPC243716
Intermediate Similarity 0.7523 NPC31097
Intermediate Similarity 0.7489 NPC477516
Intermediate Similarity 0.7477 NPC474896
Intermediate Similarity 0.7476 NPC54744
Intermediate Similarity 0.7451 NPC471944
Intermediate Similarity 0.7442 NPC478141
Intermediate Similarity 0.7441 NPC477979
Intermediate Similarity 0.7441 NPC478157
Intermediate Similarity 0.743 NPC272174
Intermediate Similarity 0.7427 NPC473376
Intermediate Similarity 0.7411 NPC17273
Intermediate Similarity 0.7411 NPC141612
Intermediate Similarity 0.7411 NPC135601
Intermediate Similarity 0.7407 NPC476817
Intermediate Similarity 0.7398 NPC228835
Intermediate Similarity 0.7396 NPC469938
Intermediate Similarity 0.7389 NPC473640
Intermediate Similarity 0.7368 NPC107077
Intermediate Similarity 0.7368 NPC223791
Intermediate Similarity 0.7353 NPC100321
Intermediate Similarity 0.7337 NPC213629
Intermediate Similarity 0.7333 NPC15840
Intermediate Similarity 0.7333 NPC91179
Intermediate Similarity 0.7333 NPC88110
Intermediate Similarity 0.733 NPC89987
Intermediate Similarity 0.7304 NPC313587
Intermediate Similarity 0.7304 NPC171317
Intermediate Similarity 0.7304 NPC315893
Intermediate Similarity 0.7304 NPC316110
Intermediate Similarity 0.7302 NPC113056
Intermediate Similarity 0.7302 NPC138293
Intermediate Similarity 0.7296 NPC113626
Intermediate Similarity 0.7295 NPC165599
Intermediate Similarity 0.7282 NPC300183
Intermediate Similarity 0.7282 NPC219336
Intermediate Similarity 0.7277 NPC472210
Intermediate Similarity 0.7277 NPC247735
Intermediate Similarity 0.7277 NPC81802
Intermediate Similarity 0.7277 NPC472295
Intermediate Similarity 0.7277 NPC269886
Intermediate Similarity 0.7259 NPC159125
Intermediate Similarity 0.7254 NPC161861
Intermediate Similarity 0.725 NPC175474
Intermediate Similarity 0.7246 NPC328318
Intermediate Similarity 0.7246 NPC328596
Intermediate Similarity 0.7246 NPC476874
Intermediate Similarity 0.7243 NPC322064
Intermediate Similarity 0.7236 NPC478077
Intermediate Similarity 0.7231 NPC15573
Intermediate Similarity 0.7231 NPC217372
Intermediate Similarity 0.7231 NPC183662
Intermediate Similarity 0.7222 NPC470003
Intermediate Similarity 0.7216 NPC329688
Intermediate Similarity 0.7216 NPC189812
Intermediate Similarity 0.7215 NPC19170
Intermediate Similarity 0.7214 NPC472112
Intermediate Similarity 0.7212 NPC317701
Intermediate Similarity 0.7207 NPC474877
Intermediate Similarity 0.7207 NPC475969
Intermediate Similarity 0.7207 NPC475859
Intermediate Similarity 0.7206 NPC472293
Intermediate Similarity 0.7206 NPC102592
Intermediate Similarity 0.7206 NPC79356
Intermediate Similarity 0.7202 NPC220851
Intermediate Similarity 0.72 NPC472323
Intermediate Similarity 0.7194 NPC11126
Intermediate Similarity 0.719 NPC244741
Intermediate Similarity 0.7184 NPC472297
Intermediate Similarity 0.7184 NPC472296
Intermediate Similarity 0.7182 NPC214142
Intermediate Similarity 0.7182 NPC24370
Intermediate Similarity 0.7182 NPC319232
Intermediate Similarity 0.7176 NPC477714
Intermediate Similarity 0.7172 NPC472109
Intermediate Similarity 0.7172 NPC472110
Intermediate Similarity 0.7163 NPC177996
Intermediate Similarity 0.7163 NPC147983
Intermediate Similarity 0.7162 NPC477175
Intermediate Similarity 0.7162 NPC470730
Intermediate Similarity 0.7162 NPC477176
Intermediate Similarity 0.7162 NPC95240
Intermediate Similarity 0.7162 NPC470729
Intermediate Similarity 0.7157 NPC469896
Intermediate Similarity 0.7156 NPC270241
Intermediate Similarity 0.7155 NPC14812
Intermediate Similarity 0.715 NPC313985
Intermediate Similarity 0.715 NPC195461
Intermediate Similarity 0.715 NPC79129
Intermediate Similarity 0.715 NPC49196
Intermediate Similarity 0.715 NPC472291
Intermediate Similarity 0.715 NPC90415
Intermediate Similarity 0.715 NPC81654
Intermediate Similarity 0.715 NPC471943
Intermediate Similarity 0.715 NPC249150
Intermediate Similarity 0.7149 NPC261251
Intermediate Similarity 0.7143 NPC472292
Intermediate Similarity 0.7143 NPC472113
Intermediate Similarity 0.7143 NPC154478
Intermediate Similarity 0.7143 NPC63279
Intermediate Similarity 0.7136 NPC50503
Intermediate Similarity 0.713 NPC477177
Intermediate Similarity 0.713 NPC312645
Intermediate Similarity 0.7128 NPC84317
Intermediate Similarity 0.7123 NPC312942
Intermediate Similarity 0.7123 NPC327095
Intermediate Similarity 0.7122 NPC472116
Intermediate Similarity 0.7122 NPC245916
Intermediate Similarity 0.712 NPC189116
Intermediate Similarity 0.7117 NPC100547
Intermediate Similarity 0.7117 NPC297862
Intermediate Similarity 0.7114 NPC17059
Intermediate Similarity 0.7111 NPC297642
Intermediate Similarity 0.7109 NPC472538
Intermediate Similarity 0.7109 NPC243850
Intermediate Similarity 0.7109 NPC471155
Intermediate Similarity 0.7105 NPC322644
Intermediate Similarity 0.7101 NPC293917
Intermediate Similarity 0.7098 NPC54803
Intermediate Similarity 0.7098 NPC165743
Intermediate Similarity 0.7098 NPC321592
Intermediate Similarity 0.7097 NPC174788
Intermediate Similarity 0.7092 NPC151635
Intermediate Similarity 0.7091 NPC40455
Intermediate Similarity 0.7091 NPC475271
Intermediate Similarity 0.7085 NPC69843
Intermediate Similarity 0.7085 NPC322135
Intermediate Similarity 0.7085 NPC139291
Intermediate Similarity 0.7085 NPC223409
Intermediate Similarity 0.7085 NPC472108
Intermediate Similarity 0.7083 NPC470732
Intermediate Similarity 0.7083 NPC470731
Intermediate Similarity 0.7079 NPC196251
Intermediate Similarity 0.7079 NPC63199
Intermediate Similarity 0.7079 NPC111602
Intermediate Similarity 0.7079 NPC102338
Intermediate Similarity 0.7077 NPC472123
Intermediate Similarity 0.7077 NPC252572
Intermediate Similarity 0.7072 NPC124920
Intermediate Similarity 0.7072 NPC476491
Intermediate Similarity 0.7072 NPC34580
Intermediate Similarity 0.7072 NPC304307
Intermediate Similarity 0.7072 NPC118559
Intermediate Similarity 0.707 NPC317752
Intermediate Similarity 0.707 NPC89508
Intermediate Similarity 0.7067 NPC284888
Intermediate Similarity 0.7062 NPC225400
Intermediate Similarity 0.7062 NPC317373
Intermediate Similarity 0.7056 NPC234987
Intermediate Similarity 0.7054 NPC14288
Intermediate Similarity 0.7053 NPC52557
Intermediate Similarity 0.7051 NPC472285
Intermediate Similarity 0.7051 NPC238945
Intermediate Similarity 0.7051 NPC477715
Intermediate Similarity 0.705 NPC258480
Intermediate Similarity 0.705 NPC477003
Intermediate Similarity 0.704 NPC471762
Intermediate Similarity 0.704 NPC191382
Intermediate Similarity 0.704 NPC56109
Intermediate Similarity 0.7031 NPC21174
Intermediate Similarity 0.7031 NPC271797
Intermediate Similarity 0.7028 NPC270918
Intermediate Similarity 0.7028 NPC470786
Intermediate Similarity 0.7023 NPC31385
Intermediate Similarity 0.7023 NPC75726
Intermediate Similarity 0.7023 NPC110602
Intermediate Similarity 0.7023 NPC318299
Intermediate Similarity 0.7021 NPC314882
Intermediate Similarity 0.7014 NPC327592
Intermediate Similarity 0.7012 NPC315467
Intermediate Similarity 0.701 NPC317430
Intermediate Similarity 0.7009 NPC326363
Intermediate Similarity 0.7009 NPC234999
Intermediate Similarity 0.7005 NPC141454
Intermediate Similarity 0.7004 NPC478028
Intermediate Similarity 0.7 NPC143533
Intermediate Similarity 0.7 NPC243058

Drug Structure

External Identifiers

TTD   DIB001152
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  604.34
ALogP  0.0241
MLogP  3.88
XLogP  7.721
HDA  11
HBD  6
Rotatable Bonds  25
TPSA  174.72
RO5 Violation  4