Drug Information

Drug ID:  NPD7284
Drug Name:  
Molecular Formula:  C29H38N4O7
Canonical SMILES:  COc1ccc2c(c1)nc1c(n2)CCCCC[C@@H]2C[C@H]2OC(=N[C@H](C(=O)N2C[C@H](O1)C[C@H]2C(=O)O)C(C)(C)C)O
Standard InCHI:  InChI=1S/C29H38N4O7/c1-29(2,3)24-26(34)33-15-18(14-22(33)27(35)36)39-25-20(30-19-11-10-17(38-4)13-21(19)31-25)9-7-5-6-8-16-12-23(16)40-28(37)32-24/h10-11,13,16,18,22-24H,5-9,12,14-15H2,1-4H3,(H,32,37)(H,35,36)/t16-,18-,22+,23-,24-/m1/s1
Standard InCHIKey:  IVROMYPOGKZNLP-FDOFPDFBSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7284

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 0.7533 NPC315804
Intermediate Similarity 0.7533 NPC313804
Intermediate Similarity 0.7443 NPC470586
Intermediate Similarity 0.7432 NPC316403
Intermediate Similarity 0.7426 NPC184680
Intermediate Similarity 0.7424 NPC128115
Intermediate Similarity 0.7422 NPC472098
Intermediate Similarity 0.7418 NPC110741
Intermediate Similarity 0.7395 NPC474183
Intermediate Similarity 0.7395 NPC470785
Intermediate Similarity 0.7387 NPC471736
Intermediate Similarity 0.7381 NPC118776
Intermediate Similarity 0.7364 NPC477586
Intermediate Similarity 0.7364 NPC477590
Intermediate Similarity 0.7364 NPC477585
Intermediate Similarity 0.7364 NPC477588
Intermediate Similarity 0.7358 NPC472435
Intermediate Similarity 0.7339 NPC472436
Intermediate Similarity 0.7336 NPC303658
Intermediate Similarity 0.7325 NPC152768
Intermediate Similarity 0.7325 NPC148183
Intermediate Similarity 0.7322 NPC470784
Intermediate Similarity 0.7303 NPC124300
Intermediate Similarity 0.728 NPC477589
Intermediate Similarity 0.728 NPC477587
Intermediate Similarity 0.7273 NPC291609
Intermediate Similarity 0.7244 NPC308392
Intermediate Similarity 0.7234 NPC186351
Intermediate Similarity 0.722 NPC475816
Intermediate Similarity 0.7217 NPC305984
Intermediate Similarity 0.7213 NPC310618
Intermediate Similarity 0.7212 NPC469589
Intermediate Similarity 0.7203 NPC194740
Intermediate Similarity 0.7172 NPC472434
Intermediate Similarity 0.7156 NPC472111
Intermediate Similarity 0.715 NPC320394
Intermediate Similarity 0.7131 NPC316224
Intermediate Similarity 0.7131 NPC311906
Intermediate Similarity 0.7124 NPC472099
Intermediate Similarity 0.7119 NPC99891
Intermediate Similarity 0.7118 NPC264176
Intermediate Similarity 0.7113 NPC475720
Intermediate Similarity 0.7113 NPC474192
Intermediate Similarity 0.7098 NPC227824
Intermediate Similarity 0.7097 NPC133609
Intermediate Similarity 0.7094 NPC60621
Intermediate Similarity 0.7093 NPC287208
Intermediate Similarity 0.7089 NPC244536
Intermediate Similarity 0.7083 NPC473105
Intermediate Similarity 0.7076 NPC21638
Intermediate Similarity 0.7046 NPC24370
Intermediate Similarity 0.7046 NPC319232
Intermediate Similarity 0.7039 NPC96321
Intermediate Similarity 0.7039 NPC473041
Intermediate Similarity 0.7033 NPC1527
Intermediate Similarity 0.7029 NPC95240
Intermediate Similarity 0.7022 NPC295898
Intermediate Similarity 0.7017 NPC304307
Intermediate Similarity 0.7017 NPC118559
Intermediate Similarity 0.7017 NPC34580
Intermediate Similarity 0.7017 NPC124920
Intermediate Similarity 0.7013 NPC471080
Intermediate Similarity 0.7013 NPC151781
Intermediate Similarity 0.7013 NPC316181
Intermediate Similarity 0.7013 NPC74562
Intermediate Similarity 0.7013 NPC469592
Intermediate Similarity 0.7 NPC189079
Remote Similarity 0.6987 NPC174672
Remote Similarity 0.6987 NPC100547
Remote Similarity 0.6971 NPC54803
Remote Similarity 0.6971 NPC321592
Remote Similarity 0.6966 NPC469594
Remote Similarity 0.6958 NPC322135
Remote Similarity 0.6958 NPC223409
Remote Similarity 0.6957 NPC285635
Remote Similarity 0.6951 NPC267928
Remote Similarity 0.6946 NPC261251
Remote Similarity 0.6942 NPC141053
Remote Similarity 0.6942 NPC284888
Remote Similarity 0.6942 NPC323752
Remote Similarity 0.6942 NPC323198
Remote Similarity 0.694 NPC476287
Remote Similarity 0.693 NPC475841
Remote Similarity 0.693 NPC474145
Remote Similarity 0.6929 NPC260434
Remote Similarity 0.6929 NPC14288
Remote Similarity 0.692 NPC165964
Remote Similarity 0.6916 NPC476098
Remote Similarity 0.6913 NPC174758
Remote Similarity 0.6904 NPC214142
Remote Similarity 0.6898 NPC219963
Remote Similarity 0.6894 NPC197141
Remote Similarity 0.6892 NPC79293
Remote Similarity 0.6892 NPC279401
Remote Similarity 0.6883 NPC219664
Remote Similarity 0.687 NPC82548
Remote Similarity 0.6856 NPC277350
Remote Similarity 0.6853 NPC146418
Remote Similarity 0.6851 NPC312645
Remote Similarity 0.6849 NPC478141
Remote Similarity 0.6844 NPC33064
Remote Similarity 0.6844 NPC245055
Remote Similarity 0.6842 NPC314222
Remote Similarity 0.6842 NPC317572
Remote Similarity 0.6842 NPC196449
Remote Similarity 0.6842 NPC260909
Remote Similarity 0.6838 NPC477979
Remote Similarity 0.6829 NPC131486
Remote Similarity 0.6829 NPC82472
Remote Similarity 0.6826 NPC53344
Remote Similarity 0.6825 NPC473800
Remote Similarity 0.6824 NPC203168
Remote Similarity 0.6822 NPC314270
Remote Similarity 0.682 NPC161887
Remote Similarity 0.682 NPC266551
Remote Similarity 0.6816 NPC226202
Remote Similarity 0.6814 NPC18487
Remote Similarity 0.6809 NPC330009
Remote Similarity 0.6809 NPC469928
Remote Similarity 0.6808 NPC258773
Remote Similarity 0.6803 NPC220852
Remote Similarity 0.6797 NPC475910
Remote Similarity 0.6795 NPC250448
Remote Similarity 0.6792 NPC97746
Remote Similarity 0.6784 NPC315957
Remote Similarity 0.6784 NPC19872
Remote Similarity 0.6783 NPC472286
Remote Similarity 0.6783 NPC472287
Remote Similarity 0.6773 NPC161801
Remote Similarity 0.6771 NPC204970
Remote Similarity 0.6766 NPC16066
Remote Similarity 0.6759 NPC283152
Remote Similarity 0.6757 NPC174629
Remote Similarity 0.6755 NPC237901
Remote Similarity 0.6755 NPC195788
Remote Similarity 0.6753 NPC321428
Remote Similarity 0.6752 NPC26679
Remote Similarity 0.6751 NPC131885
Remote Similarity 0.675 NPC205372
Remote Similarity 0.6748 NPC272549
Remote Similarity 0.6742 NPC471303
Remote Similarity 0.6738 NPC269367
Remote Similarity 0.6738 NPC471304
Remote Similarity 0.6737 NPC288349
Remote Similarity 0.6737 NPC274982
Remote Similarity 0.6736 NPC140296
Remote Similarity 0.6736 NPC110151
Remote Similarity 0.6736 NPC310118
Remote Similarity 0.6733 NPC58209
Remote Similarity 0.6727 NPC20249
Remote Similarity 0.6723 NPC298436
Remote Similarity 0.6723 NPC89508
Remote Similarity 0.6721 NPC285343
Remote Similarity 0.672 NPC75179
Remote Similarity 0.672 NPC188400
Remote Similarity 0.6719 NPC26543
Remote Similarity 0.6708 NPC314954
Remote Similarity 0.6707 NPC148889
Remote Similarity 0.6706 NPC329982
Remote Similarity 0.6706 NPC244543
Remote Similarity 0.6697 NPC314573
Remote Similarity 0.6696 NPC223427
Remote Similarity 0.6693 NPC258048
Remote Similarity 0.6693 NPC81939
Remote Similarity 0.6682 NPC211997
Remote Similarity 0.668 NPC473540
Remote Similarity 0.668 NPC478080
Remote Similarity 0.668 NPC166712
Remote Similarity 0.668 NPC64216
Remote Similarity 0.6667 NPC284685
Remote Similarity 0.6667 NPC14339
Remote Similarity 0.6667 NPC66083
Remote Similarity 0.6667 NPC8022
Remote Similarity 0.6667 NPC329631
Remote Similarity 0.6667 NPC192306
Remote Similarity 0.6667 NPC470799
Remote Similarity 0.6667 NPC475666
Remote Similarity 0.6654 NPC209981
Remote Similarity 0.6652 NPC311357
Remote Similarity 0.6652 NPC42591
Remote Similarity 0.6641 NPC314882
Remote Similarity 0.6641 NPC315467
Remote Similarity 0.6641 NPC470042
Remote Similarity 0.664 NPC182222
Remote Similarity 0.664 NPC218388
Remote Similarity 0.6639 NPC148124
Remote Similarity 0.6638 NPC315638
Remote Similarity 0.6638 NPC314855
Remote Similarity 0.6638 NPC313345
Remote Similarity 0.6638 NPC329747
Remote Similarity 0.6638 NPC313796
Remote Similarity 0.6637 NPC57994
Remote Similarity 0.6637 NPC289299
Remote Similarity 0.6636 NPC134586
Remote Similarity 0.6627 NPC315893
Remote Similarity 0.6627 NPC313587
Remote Similarity 0.6627 NPC316110
Remote Similarity 0.6626 NPC469554
Remote Similarity 0.6625 NPC323969
Remote Similarity 0.6624 NPC185782

Drug Structure

External Identifiers

TTD   DCL001216
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   46930991
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  554.27
ALogP  -0.1498
MLogP  3.44
XLogP  4.322
HDA  9
HBD  2
Rotatable Bonds  9
TPSA  143.67
RO5 Violation  0