Drug Information

Drug ID:  NPD6349
Drug Name:  Oprozomib; ONX-0912
Molecular Formula:  C25H32N4O7S
Canonical SMILES:  COC[C@@H](C(=N[C@H](C(=O)[C@]1(C)OC1)Cc1ccccc1)O)N=C([C@@H](N=C(c1cnc(s1)C)O)COC)O
Standard InCHI:  InChI=1S/C25H32N4O7S/c1-15-26-11-20(37-15)24(33)29-19(13-35-4)23(32)28-18(12-34-3)22(31)27-17(21(30)25(2)14-36-25)10-16-8-6-5-7-9-16/h5-9,11,17-19H,10,12-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t17-,18-,19-,25+/m0/s1
Standard InCHIKey:  SWZXEVABPLUDIO-WSZYKNRRSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6349

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 0.7937 NPC239660
Intermediate Similarity 0.7937 NPC106235
Intermediate Similarity 0.7688 NPC161143
Intermediate Similarity 0.7371 NPC165538
Intermediate Similarity 0.7358 NPC122427
Intermediate Similarity 0.7268 NPC329961
Intermediate Similarity 0.7094 NPC75498
Remote Similarity 0.6923 NPC14877
Remote Similarity 0.6923 NPC475350
Remote Similarity 0.6923 NPC145178
Remote Similarity 0.6878 NPC24990
Remote Similarity 0.6825 NPC251036
Remote Similarity 0.6731 NPC257511
Remote Similarity 0.6667 NPC161242
Remote Similarity 0.6599 NPC229160
Remote Similarity 0.6599 NPC25316
Remote Similarity 0.6599 NPC263485
Remote Similarity 0.6582 NPC475534
Remote Similarity 0.6582 NPC476080
Remote Similarity 0.658 NPC476103
Remote Similarity 0.6562 NPC475920
Remote Similarity 0.6555 NPC476874
Remote Similarity 0.655 NPC96016
Remote Similarity 0.6548 NPC475330
Remote Similarity 0.6522 NPC149708
Remote Similarity 0.6515 NPC174652
Remote Similarity 0.6471 NPC473763
Remote Similarity 0.6471 NPC117244
Remote Similarity 0.6436 NPC235684
Remote Similarity 0.6404 NPC248283
Remote Similarity 0.6402 NPC258062
Remote Similarity 0.6396 NPC469938
Remote Similarity 0.6355 NPC225821
Remote Similarity 0.6344 NPC469858
Remote Similarity 0.625 NPC127677
Remote Similarity 0.6244 NPC238242
Remote Similarity 0.6221 NPC271862
Remote Similarity 0.6221 NPC478158
Remote Similarity 0.6216 NPC314270
Remote Similarity 0.6215 NPC98715
Remote Similarity 0.6211 NPC57690
Remote Similarity 0.621 NPC87856
Remote Similarity 0.6207 NPC163055
Remote Similarity 0.6204 NPC46225
Remote Similarity 0.62 NPC267885
Remote Similarity 0.6199 NPC132211
Remote Similarity 0.6199 NPC203614
Remote Similarity 0.6197 NPC475506
Remote Similarity 0.619 NPC11445
Remote Similarity 0.6188 NPC315804
Remote Similarity 0.6188 NPC313804
Remote Similarity 0.6168 NPC155143
Remote Similarity 0.615 NPC203468
Remote Similarity 0.615 NPC149155
Remote Similarity 0.615 NPC110500
Remote Similarity 0.6143 NPC195239
Remote Similarity 0.6143 NPC157828
Remote Similarity 0.6143 NPC294693
Remote Similarity 0.6142 NPC160105
Remote Similarity 0.614 NPC143325
Remote Similarity 0.6139 NPC248041
Remote Similarity 0.6139 NPC126709
Remote Similarity 0.6139 NPC283219
Remote Similarity 0.6133 NPC2395
Remote Similarity 0.6132 NPC473640
Remote Similarity 0.6132 NPC102008
Remote Similarity 0.6129 NPC323927
Remote Similarity 0.6124 NPC471448
Remote Similarity 0.6123 NPC235885
Remote Similarity 0.6122 NPC311276
Remote Similarity 0.6109 NPC54744
Remote Similarity 0.6109 NPC229348
Remote Similarity 0.6108 NPC471997
Remote Similarity 0.6104 NPC475196
Remote Similarity 0.61 NPC314603
Remote Similarity 0.6098 NPC207851
Remote Similarity 0.6098 NPC46895
Remote Similarity 0.6096 NPC267926
Remote Similarity 0.6093 NPC193761
Remote Similarity 0.6089 NPC248454
Remote Similarity 0.6085 NPC272483
Remote Similarity 0.6085 NPC283783
Remote Similarity 0.6081 NPC478157
Remote Similarity 0.6078 NPC323752
Remote Similarity 0.6073 NPC223791
Remote Similarity 0.6073 NPC107077
Remote Similarity 0.6073 NPC472752
Remote Similarity 0.6071 NPC281049
Remote Similarity 0.6068 NPC49051
Remote Similarity 0.6068 NPC295158
Remote Similarity 0.6068 NPC62510
Remote Similarity 0.6063 NPC151976
Remote Similarity 0.6059 NPC55772
Remote Similarity 0.6058 NPC213629
Remote Similarity 0.6058 NPC321708
Remote Similarity 0.6054 NPC269398
Remote Similarity 0.6054 NPC204491
Remote Similarity 0.6054 NPC263493
Remote Similarity 0.6053 NPC141428
Remote Similarity 0.6047 NPC54537
Remote Similarity 0.6041 NPC476446
Remote Similarity 0.6041 NPC469813
Remote Similarity 0.6041 NPC78375
Remote Similarity 0.6039 NPC94752
Remote Similarity 0.6039 NPC315555
Remote Similarity 0.6036 NPC267965
Remote Similarity 0.6032 NPC105717
Remote Similarity 0.6029 NPC15840
Remote Similarity 0.6029 NPC271792
Remote Similarity 0.6027 NPC79386
Remote Similarity 0.6021 NPC162104
Remote Similarity 0.601 NPC14113
Remote Similarity 0.601 NPC64436
Remote Similarity 0.601 NPC145885
Remote Similarity 0.601 NPC84827
Remote Similarity 0.6009 NPC317373
Remote Similarity 0.6009 NPC147446
Remote Similarity 0.6009 NPC266192
Remote Similarity 0.6 NPC470497
Remote Similarity 0.6 NPC162860
Remote Similarity 0.6 NPC315252
Remote Similarity 0.6 NPC186351
Remote Similarity 0.6 NPC187494
Remote Similarity 0.6 NPC474538
Remote Similarity 0.6 NPC469762
Remote Similarity 0.5991 NPC138562
Remote Similarity 0.5991 NPC290529
Remote Similarity 0.599 NPC71079
Remote Similarity 0.5989 NPC324611
Remote Similarity 0.5983 NPC476818
Remote Similarity 0.5983 NPC233727
Remote Similarity 0.5982 NPC54420
Remote Similarity 0.5981 NPC209917
Remote Similarity 0.5981 NPC212213
Remote Similarity 0.598 NPC248462
Remote Similarity 0.598 NPC213468
Remote Similarity 0.598 NPC41717
Remote Similarity 0.5972 NPC300183
Remote Similarity 0.5972 NPC56170
Remote Similarity 0.5965 NPC253987
Remote Similarity 0.5964 NPC317752
Remote Similarity 0.5963 NPC327592
Remote Similarity 0.596 NPC194640
Remote Similarity 0.596 NPC474217
Remote Similarity 0.596 NPC40779
Remote Similarity 0.5959 NPC206724
Remote Similarity 0.5959 NPC474515
Remote Similarity 0.5957 NPC319232
Remote Similarity 0.5957 NPC5620
Remote Similarity 0.5957 NPC24370
Remote Similarity 0.5957 NPC209509
Remote Similarity 0.5953 NPC50997
Remote Similarity 0.5953 NPC74413
Remote Similarity 0.5953 NPC100321
Remote Similarity 0.5953 NPC160127
Remote Similarity 0.5953 NPC81535
Remote Similarity 0.5953 NPC293917
Remote Similarity 0.5952 NPC154339
Remote Similarity 0.5951 NPC61011
Remote Similarity 0.5951 NPC249662
Remote Similarity 0.5951 NPC73994
Remote Similarity 0.595 NPC78020
Remote Similarity 0.5949 NPC469785
Remote Similarity 0.5949 NPC21126
Remote Similarity 0.5946 NPC320968
Remote Similarity 0.5945 NPC328596
Remote Similarity 0.5945 NPC328318
Remote Similarity 0.5944 NPC471313
Remote Similarity 0.5944 NPC471311
Remote Similarity 0.5943 NPC267343
Remote Similarity 0.5943 NPC80150
Remote Similarity 0.5942 NPC228835
Remote Similarity 0.5941 NPC477976
Remote Similarity 0.594 NPC63279
Remote Similarity 0.594 NPC220852
Remote Similarity 0.5939 NPC312887
Remote Similarity 0.5938 NPC313640
Remote Similarity 0.5935 NPC227582
Remote Similarity 0.5933 NPC472323
Remote Similarity 0.593 NPC477975
Remote Similarity 0.5928 NPC469786
Remote Similarity 0.5928 NPC469765
Remote Similarity 0.5928 NPC25008
Remote Similarity 0.5928 NPC469760
Remote Similarity 0.5928 NPC469763
Remote Similarity 0.5928 NPC73952
Remote Similarity 0.5928 NPC259644
Remote Similarity 0.5926 NPC315491
Remote Similarity 0.5926 NPC45459
Remote Similarity 0.5924 NPC474070
Remote Similarity 0.592 NPC310467
Remote Similarity 0.5919 NPC207020
Remote Similarity 0.5919 NPC75634
Remote Similarity 0.5919 NPC292517
Remote Similarity 0.5919 NPC318299
Remote Similarity 0.5918 NPC52587
Remote Similarity 0.5915 NPC297642
Remote Similarity 0.5914 NPC65408
Remote Similarity 0.5913 NPC125597
Remote Similarity 0.5911 NPC317362

Drug Structure

External Identifiers

TTD   DIB001224
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  532.20
ALogP  -0.3439
MLogP  2.89
XLogP  1.88
HDA  11
HBD  3
Rotatable Bonds  21
TPSA  186.96
RO5 Violation  2