Drug Information

Drug ID:  NPD5283
Drug Name:  Terameprocol
Molecular Formula:  C22H30O4
Canonical SMILES:  COc1cc(ccc1OC)C[C@H]([C@H](Cc1ccc(c(c1)OC)OC)C)C
Standard InCHI:  InChI=1S/C22H30O4/c1-15(11-17-7-9-19(23-3)21(13-17)25-5)16(2)12-18-8-10-20(24-4)22(14-18)26-6/h7-10,13-16H,11-12H2,1-6H3/t15-,16+
Standard InCHIKey:  ORQFDHFZSMXRLM-IYBDPMFKSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5283

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
High Similarity 1.0 NPC165106
High Similarity 0.9813 NPC473264
High Similarity 0.9813 NPC47194
High Similarity 0.9813 NPC475815
High Similarity 0.9722 NPC9341
High Similarity 0.9722 NPC81067
High Similarity 0.9545 NPC474040
High Similarity 0.9375 NPC227217
High Similarity 0.9375 NPC344161
High Similarity 0.9375 NPC232316
High Similarity 0.9375 NPC95614
High Similarity 0.9375 NPC165133
High Similarity 0.9375 NPC117780
High Similarity 0.9375 NPC242885
High Similarity 0.9375 NPC56214
High Similarity 0.9286 NPC310338
High Similarity 0.9286 NPC281298
High Similarity 0.9211 NPC216929
High Similarity 0.9211 NPC312713
High Similarity 0.9211 NPC38996
High Similarity 0.9211 NPC80241
High Similarity 0.9211 NPC160380
High Similarity 0.9211 NPC301641
High Similarity 0.9211 NPC57268
High Similarity 0.9211 NPC65933
High Similarity 0.9211 NPC477886
High Similarity 0.9211 NPC126935
High Similarity 0.9211 NPC172676
High Similarity 0.9196 NPC470626
High Similarity 0.9196 NPC474214
High Similarity 0.9143 NPC292792
High Similarity 0.913 NPC85488
High Similarity 0.9115 NPC474320
High Similarity 0.9115 NPC475961
High Similarity 0.9115 NPC254625
High Similarity 0.9107 NPC293619
High Similarity 0.9052 NPC280704
High Similarity 0.9052 NPC31344
High Similarity 0.9052 NPC470887
High Similarity 0.9052 NPC317769
High Similarity 0.8974 NPC121783
High Similarity 0.8974 NPC18449
High Similarity 0.8974 NPC34902
High Similarity 0.8966 NPC30462
High Similarity 0.8957 NPC207613
High Similarity 0.8952 NPC12714
High Similarity 0.8952 NPC310905
High Similarity 0.8947 NPC15805
High Similarity 0.8898 NPC228771
High Similarity 0.8898 NPC17348
High Similarity 0.8898 NPC266705
High Similarity 0.8898 NPC29008
High Similarity 0.8898 NPC9067
High Similarity 0.8898 NPC148627
High Similarity 0.8889 NPC249788
High Similarity 0.8879 NPC470212
High Similarity 0.8879 NPC343720
High Similarity 0.8879 NPC312675
High Similarity 0.8879 NPC473853
High Similarity 0.8879 NPC262156
High Similarity 0.8879 NPC184651
High Similarity 0.8879 NPC113865
High Similarity 0.8879 NPC324571
High Similarity 0.8879 NPC54872
High Similarity 0.885 NPC123948
High Similarity 0.8824 NPC274356
High Similarity 0.8824 NPC50683
High Similarity 0.8824 NPC112571
High Similarity 0.8824 NPC285725
High Similarity 0.8824 NPC206882
High Similarity 0.8818 NPC137685
High Similarity 0.8793 NPC472596
High Similarity 0.8774 NPC300166
High Similarity 0.8772 NPC280001
High Similarity 0.8772 NPC185738
High Similarity 0.875 NPC158737
High Similarity 0.875 NPC223807
High Similarity 0.875 NPC5428
High Similarity 0.875 NPC98745
High Similarity 0.875 NPC118533
High Similarity 0.875 NPC127587
High Similarity 0.875 NPC165045
High Similarity 0.875 NPC177167
High Similarity 0.8729 NPC471693
High Similarity 0.8729 NPC282496
High Similarity 0.8729 NPC233526
High Similarity 0.8716 NPC258171
High Similarity 0.8696 NPC277460
High Similarity 0.8678 NPC21867
High Similarity 0.8678 NPC158471
High Similarity 0.8678 NPC222127
High Similarity 0.8678 NPC129570
High Similarity 0.8678 NPC57119
High Similarity 0.8678 NPC226862
High Similarity 0.8678 NPC128208
High Similarity 0.8678 NPC277458
High Similarity 0.8678 NPC307050
High Similarity 0.8678 NPC82862
High Similarity 0.8678 NPC184733
High Similarity 0.8678 NPC165128
High Similarity 0.8678 NPC470084
High Similarity 0.8678 NPC282703
High Similarity 0.8678 NPC45774
High Similarity 0.8678 NPC11258
High Similarity 0.8667 NPC76451
High Similarity 0.8667 NPC186845
High Similarity 0.8667 NPC40352
High Similarity 0.8667 NPC9891
High Similarity 0.8667 NPC213711
High Similarity 0.8667 NPC88297
High Similarity 0.8649 NPC475852
High Similarity 0.8644 NPC71090
High Similarity 0.8644 NPC261661
High Similarity 0.8636 NPC75440
High Similarity 0.8636 NPC201959
High Similarity 0.8621 NPC24474
High Similarity 0.8621 NPC311595
High Similarity 0.8611 NPC241224
High Similarity 0.8609 NPC86947
High Similarity 0.8609 NPC164386
High Similarity 0.8607 NPC475875
High Similarity 0.8607 NPC476748
High Similarity 0.8595 NPC473092
High Similarity 0.8595 NPC202904
High Similarity 0.8595 NPC8050
High Similarity 0.8595 NPC189248
High Similarity 0.8595 NPC473093
High Similarity 0.8595 NPC21563
High Similarity 0.8595 NPC106511
High Similarity 0.8584 NPC204120
High Similarity 0.8583 NPC193544
High Similarity 0.8583 NPC472093
High Similarity 0.8583 NPC221077
High Similarity 0.8583 NPC17943
High Similarity 0.8583 NPC208950
High Similarity 0.8583 NPC57490
High Similarity 0.8583 NPC105925
High Similarity 0.8583 NPC257589
High Similarity 0.8583 NPC203133
High Similarity 0.8583 NPC298757
High Similarity 0.8583 NPC116907
High Similarity 0.8583 NPC233410
High Similarity 0.8583 NPC251855
High Similarity 0.8583 NPC53305
High Similarity 0.8583 NPC475169
High Similarity 0.8583 NPC117214
High Similarity 0.8571 NPC197757
High Similarity 0.8571 NPC173746
High Similarity 0.8571 NPC228922
High Similarity 0.8571 NPC156840
High Similarity 0.8571 NPC279379
High Similarity 0.8571 NPC8547
High Similarity 0.8571 NPC257124
High Similarity 0.8559 NPC290451
High Similarity 0.8559 NPC127389
High Similarity 0.8547 NPC474565
High Similarity 0.8545 NPC227894
High Similarity 0.8537 NPC42300
High Similarity 0.8537 NPC145305
High Similarity 0.8537 NPC174495
High Similarity 0.8537 NPC241522
High Similarity 0.8537 NPC173308
High Similarity 0.8537 NPC224157
High Similarity 0.8537 NPC233224
High Similarity 0.8537 NPC92164
High Similarity 0.8537 NPC242807
High Similarity 0.8537 NPC64201
High Similarity 0.8537 NPC275950
High Similarity 0.8537 NPC187998
High Similarity 0.8537 NPC181079
High Similarity 0.8537 NPC153739
High Similarity 0.8537 NPC257582
High Similarity 0.8537 NPC77040
High Similarity 0.8537 NPC192687
High Similarity 0.8537 NPC271208
High Similarity 0.8525 NPC149008
High Similarity 0.8525 NPC328682
High Similarity 0.8525 NPC54321
High Similarity 0.8525 NPC207702
High Similarity 0.8525 NPC283114
High Similarity 0.8525 NPC281864
High Similarity 0.8522 NPC268317
High Similarity 0.8512 NPC223953
High Similarity 0.8512 NPC92207
High Similarity 0.8512 NPC304630
High Similarity 0.8512 NPC17837
High Similarity 0.8512 NPC127937
High Similarity 0.85 NPC94276
High Similarity 0.85 NPC114901
High Similarity 0.85 NPC109822
High Similarity 0.85 NPC293701
High Similarity 0.85 NPC48990
Intermediate Similarity 0.8496 NPC165646
Intermediate Similarity 0.8491 NPC470161
Intermediate Similarity 0.8487 NPC41562
Intermediate Similarity 0.8482 NPC31279
Intermediate Similarity 0.8475 NPC224814
Intermediate Similarity 0.8475 NPC14007
Intermediate Similarity 0.8475 NPC189844
Intermediate Similarity 0.8475 NPC60962

Drug Structure

External Identifiers

TTD   DCL001082
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   476861
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  358.21
ALogP  0.702
MLogP  3.44
XLogP  6.276
HDA  0
HBD  0
Rotatable Bonds  15
TPSA  36.92
RO5 Violation  1