Drug Information

Drug ID:  NPD3862
Drug Name:  Prasugrel
Molecular Formula:  C20H20FNO3S
Canonical SMILES:  CC(=O)Oc1sc2c(c1)CN(CC2)C(c1ccccc1F)C(=O)C1CC1
Standard InCHI:  InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3
Standard InCHIKey:  DTGLZDAWLRGWQN-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD3862

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 0.7083 NPC189908
Remote Similarity 0.6989 NPC149571
Remote Similarity 0.6766 NPC208170
Remote Similarity 0.6766 NPC216149
Remote Similarity 0.6727 NPC266425
Remote Similarity 0.6685 NPC176304
Remote Similarity 0.6685 NPC473245
Remote Similarity 0.6685 NPC70840
Remote Similarity 0.6648 NPC471651
Remote Similarity 0.6609 NPC223873
Remote Similarity 0.6605 NPC124776
Remote Similarity 0.6578 NPC469964
Remote Similarity 0.6578 NPC476236
Remote Similarity 0.6578 NPC472474
Remote Similarity 0.6573 NPC471649
Remote Similarity 0.6566 NPC470392
Remote Similarity 0.6548 NPC196708
Remote Similarity 0.6509 NPC307682
Remote Similarity 0.65 NPC133817
Remote Similarity 0.65 NPC476443
Remote Similarity 0.6495 NPC477526
Remote Similarity 0.6485 NPC283079
Remote Similarity 0.6453 NPC26589
Remote Similarity 0.6453 NPC473444
Remote Similarity 0.644 NPC186957
Remote Similarity 0.644 NPC289167
Remote Similarity 0.644 NPC76433
Remote Similarity 0.6425 NPC4910
Remote Similarity 0.6425 NPC329731
Remote Similarity 0.6374 NPC471316
Remote Similarity 0.6373 NPC297647
Remote Similarity 0.6364 NPC477258
Remote Similarity 0.6358 NPC26285
Remote Similarity 0.6331 NPC132308
Remote Similarity 0.6316 NPC106606
Remote Similarity 0.6316 NPC416184
Remote Similarity 0.6301 NPC314682
Remote Similarity 0.6292 NPC475959
Remote Similarity 0.6292 NPC214239
Remote Similarity 0.6279 NPC225745
Remote Similarity 0.6264 NPC188163
Remote Similarity 0.6264 NPC328750
Remote Similarity 0.6264 NPC474915
Remote Similarity 0.6264 NPC213206
Remote Similarity 0.6258 NPC259554
Remote Similarity 0.6257 NPC470088
Remote Similarity 0.6257 NPC206941
Remote Similarity 0.625 NPC327005
Remote Similarity 0.6243 NPC474708
Remote Similarity 0.6237 NPC315542
Remote Similarity 0.6236 NPC324081
Remote Similarity 0.6231 NPC59827
Remote Similarity 0.6231 NPC184933
Remote Similarity 0.6228 NPC172403
Remote Similarity 0.6223 NPC284842
Remote Similarity 0.6221 NPC281104
Remote Similarity 0.6218 NPC27887
Remote Similarity 0.6215 NPC17760
Remote Similarity 0.6215 NPC471647
Remote Similarity 0.6215 NPC471646
Remote Similarity 0.6211 NPC293424
Remote Similarity 0.6207 NPC470709
Remote Similarity 0.6195 NPC257511
Remote Similarity 0.619 NPC475845
Remote Similarity 0.6178 NPC233238
Remote Similarity 0.6176 NPC118419
Remote Similarity 0.6173 NPC21425
Remote Similarity 0.617 NPC474858
Remote Similarity 0.6163 NPC180647
Remote Similarity 0.6154 NPC102760
Remote Similarity 0.615 NPC476569
Remote Similarity 0.6149 NPC40321
Remote Similarity 0.6149 NPC318984
Remote Similarity 0.6149 NPC317741
Remote Similarity 0.6149 NPC259800
Remote Similarity 0.6149 NPC328137
Remote Similarity 0.6149 NPC241086
Remote Similarity 0.6149 NPC282087
Remote Similarity 0.6149 NPC318028
Remote Similarity 0.6145 NPC90844
Remote Similarity 0.6145 NPC253883
Remote Similarity 0.6145 NPC95075
Remote Similarity 0.6142 NPC230098
Remote Similarity 0.6141 NPC146288
Remote Similarity 0.614 NPC169766
Remote Similarity 0.6139 NPC477527
Remote Similarity 0.6138 NPC57812
Remote Similarity 0.6138 NPC474324
Remote Similarity 0.6138 NPC471648
Remote Similarity 0.6131 NPC226708
Remote Similarity 0.6126 NPC67978
Remote Similarity 0.6126 NPC303581
Remote Similarity 0.6125 NPC51345
Remote Similarity 0.6124 NPC185838
Remote Similarity 0.6124 NPC9373
Remote Similarity 0.6124 NPC469978
Remote Similarity 0.6118 NPC257390
Remote Similarity 0.6117 NPC469505
Remote Similarity 0.6111 NPC7467
Remote Similarity 0.6108 NPC65310
Remote Similarity 0.6105 NPC86469
Remote Similarity 0.6104 NPC476198
Remote Similarity 0.6102 NPC136860
Remote Similarity 0.6102 NPC128019
Remote Similarity 0.6102 NPC476567
Remote Similarity 0.6096 NPC153631
Remote Similarity 0.6087 NPC319320
Remote Similarity 0.6087 NPC470860
Remote Similarity 0.6087 NPC216459
Remote Similarity 0.6087 NPC41178
Remote Similarity 0.6087 NPC138487
Remote Similarity 0.6087 NPC287757
Remote Similarity 0.6084 NPC217277
Remote Similarity 0.6082 NPC288305
Remote Similarity 0.608 NPC470925
Remote Similarity 0.6077 NPC219162
Remote Similarity 0.6074 NPC264976
Remote Similarity 0.6074 NPC234956
Remote Similarity 0.6071 NPC305717
Remote Similarity 0.6071 NPC218323
Remote Similarity 0.6071 NPC235194
Remote Similarity 0.6071 NPC473007
Remote Similarity 0.6069 NPC11147
Remote Similarity 0.6067 NPC97004
Remote Similarity 0.6067 NPC161155
Remote Similarity 0.6067 NPC136951
Remote Similarity 0.6066 NPC210148
Remote Similarity 0.6066 NPC233029
Remote Similarity 0.6062 NPC475421
Remote Similarity 0.6062 NPC20395
Remote Similarity 0.6062 NPC308267
Remote Similarity 0.6061 NPC84281
Remote Similarity 0.6061 NPC291027
Remote Similarity 0.6061 NPC169387
Remote Similarity 0.6061 NPC169485
Remote Similarity 0.6061 NPC317474
Remote Similarity 0.6061 NPC477259
Remote Similarity 0.6061 NPC213126
Remote Similarity 0.6059 NPC124302
Remote Similarity 0.6059 NPC73020
Remote Similarity 0.6059 NPC46744
Remote Similarity 0.6059 NPC160193
Remote Similarity 0.6059 NPC70290
Remote Similarity 0.6059 NPC14622
Remote Similarity 0.6059 NPC215098
Remote Similarity 0.6057 NPC197239
Remote Similarity 0.6057 NPC326860
Remote Similarity 0.6056 NPC476151
Remote Similarity 0.6056 NPC191376
Remote Similarity 0.6056 NPC321505
Remote Similarity 0.6056 NPC16107
Remote Similarity 0.6056 NPC51957
Remote Similarity 0.6056 NPC179825
Remote Similarity 0.6056 NPC210437
Remote Similarity 0.6056 NPC476144
Remote Similarity 0.6056 NPC106295
Remote Similarity 0.6054 NPC247639
Remote Similarity 0.6054 NPC25084
Remote Similarity 0.6051 NPC474745
Remote Similarity 0.6048 NPC89630
Remote Similarity 0.6044 NPC223125
Remote Similarity 0.6043 NPC158900
Remote Similarity 0.6043 NPC472923
Remote Similarity 0.6043 NPC26353
Remote Similarity 0.6037 NPC321133
Remote Similarity 0.6037 NPC474874
Remote Similarity 0.6034 NPC7018
Remote Similarity 0.6034 NPC130926
Remote Similarity 0.6033 NPC56635
Remote Similarity 0.6032 NPC35345
Remote Similarity 0.6031 NPC222524
Remote Similarity 0.6031 NPC35680
Remote Similarity 0.603 NPC283207
Remote Similarity 0.603 NPC45389
Remote Similarity 0.6024 NPC471314
Remote Similarity 0.6024 NPC471315
Remote Similarity 0.6023 NPC2989
Remote Similarity 0.6022 NPC246587
Remote Similarity 0.6022 NPC476571
Remote Similarity 0.6022 NPC24233
Remote Similarity 0.6022 NPC135538
Remote Similarity 0.6022 NPC147390
Remote Similarity 0.6022 NPC428
Remote Similarity 0.6022 NPC93653
Remote Similarity 0.602 NPC115906
Remote Similarity 0.6012 NPC88403
Remote Similarity 0.6011 NPC314725
Remote Similarity 0.6011 NPC313375
Remote Similarity 0.6011 NPC119669
Remote Similarity 0.6011 NPC476579
Remote Similarity 0.6 NPC474325
Remote Similarity 0.6 NPC120671
Remote Similarity 0.6 NPC193528
Remote Similarity 0.6 NPC76079
Remote Similarity 0.6 NPC314100
Remote Similarity 0.6 NPC78733
Remote Similarity 0.6 NPC194359
Remote Similarity 0.6 NPC28641
Remote Similarity 0.6 NPC470707
Remote Similarity 0.6 NPC72788

Drug Structure

External Identifiers

TTD   DAP001548
DrugBank   DB06209
ChEMBL   CHEMBL1201772
IUPHAR/BPS   7562
PharmaGKB   PA154410481
KEGG Drug   D05597
PubChem CID   6918456
ChEBI   87723
CAS Number  150322-43-3

Drug Properties

Molecular Weight  373.11
ALogP  0.6831
MLogP  3
XLogP  3.676
HDA  3
HBD  0
Rotatable Bonds  8
TPSA  74.85
RO5 Violation  0