Drug Information

Drug ID:  NPD2091
Drug Name:  Oglufanide Disodium
Molecular Formula:  C16H19N3O5.2Na
Canonical SMILES:  [O-]C(=O)CC[C@@H](C(=N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)[O-])N.[Na+].[Na+]
Standard InCHI:  InChI=1S/C16H19N3O5.2Na/c17-11(5-6-14(20)21)15(22)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12;;/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24);;/q;2*+1/p-2/t11-,13-;;/m0../s1
Standard InCHIKey:  GDLPAGOVHZLZEK-JBUFHSOLSA-L
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2091

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 0.9571 NPC149155
High Similarity 0.9571 NPC110500
High Similarity 0.9571 NPC203468
High Similarity 0.9515 NPC283219
High Similarity 0.9512 NPC267885
High Similarity 0.9408 NPC235684
High Similarity 0.9398 NPC248041
High Similarity 0.9398 NPC126709
High Similarity 0.9325 NPC78020
High Similarity 0.9222 NPC145885
High Similarity 0.9222 NPC14113
High Similarity 0.9222 NPC84827
High Similarity 0.9186 NPC321708
High Similarity 0.9107 NPC111275
High Similarity 0.9053 NPC55772
High Similarity 0.8837 NPC71037
High Similarity 0.883 NPC213468
High Similarity 0.8802 NPC160105
High Similarity 0.8791 NPC476874
High Similarity 0.8743 NPC62749
High Similarity 0.8743 NPC315555
High Similarity 0.8722 NPC262898
High Similarity 0.869 NPC49954
High Similarity 0.869 NPC474561
High Similarity 0.8675 NPC279918
High Similarity 0.8667 NPC179701
High Similarity 0.8663 NPC15573
High Similarity 0.8663 NPC217372
High Similarity 0.8663 NPC183662
High Similarity 0.8639 NPC63751
High Similarity 0.8626 NPC293917
High Similarity 0.8623 NPC282231
High Similarity 0.8613 NPC219336
High Similarity 0.8596 NPC314603
High Similarity 0.8595 NPC473376
High Similarity 0.8588 NPC17059
High Similarity 0.8579 NPC315491
High Similarity 0.8579 NPC45459
High Similarity 0.8539 NPC213629
High Similarity 0.8523 NPC228835
Intermediate Similarity 0.8485 NPC25008
Intermediate Similarity 0.8485 NPC73952
Intermediate Similarity 0.8485 NPC469760
Intermediate Similarity 0.8485 NPC469763
Intermediate Similarity 0.8485 NPC469786
Intermediate Similarity 0.8485 NPC259644
Intermediate Similarity 0.8485 NPC469765
Intermediate Similarity 0.8471 NPC54988
Intermediate Similarity 0.8462 NPC194640
Intermediate Similarity 0.8443 NPC469762
Intermediate Similarity 0.8434 NPC211572
Intermediate Similarity 0.8434 NPC70922
Intermediate Similarity 0.8434 NPC212376
Intermediate Similarity 0.8434 NPC80597
Intermediate Similarity 0.8434 NPC75540
Intermediate Similarity 0.8429 NPC229348
Intermediate Similarity 0.8413 NPC478158
Intermediate Similarity 0.84 NPC11126
Intermediate Similarity 0.8383 NPC469785
Intermediate Similarity 0.837 NPC171317
Intermediate Similarity 0.8352 NPC469896
Intermediate Similarity 0.8351 NPC281049
Intermediate Similarity 0.8343 NPC59269
Intermediate Similarity 0.8324 NPC94752
Intermediate Similarity 0.8315 NPC227582
Intermediate Similarity 0.829 NPC313640
Intermediate Similarity 0.8284 NPC230869
Intermediate Similarity 0.8281 NPC207020
Intermediate Similarity 0.828 NPC213308
Intermediate Similarity 0.8278 NPC278434
Intermediate Similarity 0.8261 NPC11445
Intermediate Similarity 0.8246 NPC311276
Intermediate Similarity 0.8239 NPC248454
Intermediate Similarity 0.8238 NPC54744
Intermediate Similarity 0.8232 NPC314372
Intermediate Similarity 0.8226 NPC100321
Intermediate Similarity 0.8216 NPC156704
Intermediate Similarity 0.8216 NPC272483
Intermediate Similarity 0.8212 NPC165495
Intermediate Similarity 0.8207 NPC157828
Intermediate Similarity 0.8207 NPC195239
Intermediate Similarity 0.8202 NPC233936
Intermediate Similarity 0.8196 NPC478157
Intermediate Similarity 0.8187 NPC83111
Intermediate Similarity 0.8187 NPC154339
Intermediate Similarity 0.8182 NPC252338
Intermediate Similarity 0.8172 NPC131887
Intermediate Similarity 0.8172 NPC67288
Intermediate Similarity 0.8156 NPC469358
Intermediate Similarity 0.8152 NPC88315
Intermediate Similarity 0.8135 NPC82370
Intermediate Similarity 0.8129 NPC131718
Intermediate Similarity 0.8125 NPC469938
Intermediate Similarity 0.8115 NPC54420
Intermediate Similarity 0.811 NPC190296
Intermediate Similarity 0.8095 NPC193761
Intermediate Similarity 0.8095 NPC476073
Intermediate Similarity 0.8093 NPC75634
Intermediate Similarity 0.8075 NPC473640
Intermediate Similarity 0.8059 NPC285469
Intermediate Similarity 0.8056 NPC163055
Intermediate Similarity 0.8054 NPC267343
Intermediate Similarity 0.8045 NPC91179
Intermediate Similarity 0.8042 NPC475506
Intermediate Similarity 0.8036 NPC105818
Intermediate Similarity 0.8036 NPC24678
Intermediate Similarity 0.8035 NPC40779
Intermediate Similarity 0.8033 NPC175474
Intermediate Similarity 0.8032 NPC74413
Intermediate Similarity 0.8031 NPC162860
Intermediate Similarity 0.8021 NPC88008
Intermediate Similarity 0.8021 NPC323927
Intermediate Similarity 0.8012 NPC159856
Intermediate Similarity 0.8 NPC201700
Intermediate Similarity 0.8 NPC155143
Intermediate Similarity 0.7989 NPC470497
Intermediate Similarity 0.7979 NPC470499
Intermediate Similarity 0.7978 NPC317030
Intermediate Similarity 0.7967 NPC280290
Intermediate Similarity 0.7967 NPC15102
Intermediate Similarity 0.7949 NPC320968
Intermediate Similarity 0.7946 NPC138370
Intermediate Similarity 0.7946 NPC473763
Intermediate Similarity 0.7946 NPC117244
Intermediate Similarity 0.7938 NPC271862
Intermediate Similarity 0.7933 NPC64436
Intermediate Similarity 0.7931 NPC102423
Intermediate Similarity 0.7923 NPC474707
Intermediate Similarity 0.7914 NPC202812
Intermediate Similarity 0.7912 NPC477003
Intermediate Similarity 0.7906 NPC260900
Intermediate Similarity 0.7889 NPC248462
Intermediate Similarity 0.7887 NPC258062
Intermediate Similarity 0.7887 NPC127677
Intermediate Similarity 0.788 NPC204565
Intermediate Similarity 0.7879 NPC469761
Intermediate Similarity 0.7879 NPC469780
Intermediate Similarity 0.7879 NPC469783
Intermediate Similarity 0.7879 NPC469768
Intermediate Similarity 0.7879 NPC469767
Intermediate Similarity 0.7879 NPC469784
Intermediate Similarity 0.7879 NPC469779
Intermediate Similarity 0.7874 NPC16667
Intermediate Similarity 0.7871 NPC64216
Intermediate Similarity 0.7865 NPC98715
Intermediate Similarity 0.7861 NPC472210
Intermediate Similarity 0.7861 NPC247735
Intermediate Similarity 0.7861 NPC81802
Intermediate Similarity 0.7861 NPC472295
Intermediate Similarity 0.7861 NPC269886
Intermediate Similarity 0.7853 NPC96102
Intermediate Similarity 0.7846 NPC223791
Intermediate Similarity 0.7846 NPC107077
Intermediate Similarity 0.7839 NPC477715
Intermediate Similarity 0.7838 NPC173028
Intermediate Similarity 0.7838 NPC65215
Intermediate Similarity 0.7835 NPC46225
Intermediate Similarity 0.7835 NPC225821
Intermediate Similarity 0.7831 NPC469766
Intermediate Similarity 0.7828 NPC474412
Intermediate Similarity 0.7819 NPC294693
Intermediate Similarity 0.7818 NPC73767
Intermediate Similarity 0.7811 NPC471957
Intermediate Similarity 0.7807 NPC473342
Intermediate Similarity 0.7807 NPC477167
Intermediate Similarity 0.7807 NPC472292
Intermediate Similarity 0.7805 NPC105127
Intermediate Similarity 0.7805 NPC84911
Intermediate Similarity 0.78 NPC477714
Intermediate Similarity 0.7796 NPC329858
Intermediate Similarity 0.7796 NPC314333
Intermediate Similarity 0.7791 NPC207726
Intermediate Similarity 0.7789 NPC50503
Intermediate Similarity 0.7789 NPC52557
Intermediate Similarity 0.7789 NPC149708
Intermediate Similarity 0.7789 NPC36405
Intermediate Similarity 0.7784 NPC42372
Intermediate Similarity 0.7784 NPC472323
Intermediate Similarity 0.7778 NPC472293
Intermediate Similarity 0.7772 NPC473317
Intermediate Similarity 0.7772 NPC163421
Intermediate Similarity 0.7772 NPC476098
Intermediate Similarity 0.7772 NPC314002
Intermediate Similarity 0.7772 NPC188387
Intermediate Similarity 0.7772 NPC99939
Intermediate Similarity 0.7772 NPC308931
Intermediate Similarity 0.7766 NPC72956
Intermediate Similarity 0.7765 NPC313791
Intermediate Similarity 0.776 NPC220765
Intermediate Similarity 0.776 NPC300183
Intermediate Similarity 0.7759 NPC92796
Intermediate Similarity 0.7759 NPC135141
Intermediate Similarity 0.775 NPC472285
Intermediate Similarity 0.7744 NPC261195
Intermediate Similarity 0.7744 NPC29886
Intermediate Similarity 0.7742 NPC63199
Intermediate Similarity 0.7742 NPC102338
Intermediate Similarity 0.7742 NPC111602
Intermediate Similarity 0.7742 NPC196251
Intermediate Similarity 0.7735 NPC151939

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  331.12
ALogP  -3.5921
MLogP  2.34
XLogP  -2.088
HDA  8
HBD  3
Rotatable Bonds  12
TPSA  154.66
RO5 Violation  0