Drug Information

Drug ID:  NPD2172
Drug Name:  RG-7166
Molecular Formula:  C16H22N2
Canonical SMILES:  CCCCC1(CNCC1)c1ccc2c(c1)cc[nH]2
Standard InCHI:  InChI=1S/C16H22N2/c1-2-3-7-16(8-10-17-12-16)14-4-5-15-13(11-14)6-9-18-15/h4-6,9,11,17-18H,2-3,7-8,10,12H2,1H3
Standard InCHIKey:  FIIZGBLPZZYXCS-UHFFFAOYSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2172

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 0.9291 NPC469783
High Similarity 0.9291 NPC469761
High Similarity 0.9291 NPC469779
High Similarity 0.9291 NPC469767
High Similarity 0.9291 NPC469780
High Similarity 0.9291 NPC469768
High Similarity 0.9291 NPC469784
High Similarity 0.9225 NPC469766
High Similarity 0.922 NPC73767
High Similarity 0.9214 NPC84911
High Similarity 0.9178 NPC53947
High Similarity 0.9143 NPC96102
High Similarity 0.9143 NPC261195
High Similarity 0.9143 NPC29886
High Similarity 0.9103 NPC288838
High Similarity 0.9085 NPC110126
High Similarity 0.9078 NPC105127
High Similarity 0.8904 NPC314372
High Similarity 0.8897 NPC190296
High Similarity 0.8889 NPC279081
High Similarity 0.8874 NPC286427
High Similarity 0.8857 NPC82295
High Similarity 0.8816 NPC41257
High Similarity 0.8792 NPC24678
High Similarity 0.8792 NPC105818
High Similarity 0.8766 NPC90723
High Similarity 0.8759 NPC230002
High Similarity 0.875 NPC216643
High Similarity 0.8693 NPC318065
High Similarity 0.8693 NPC92796
High Similarity 0.8693 NPC135141
High Similarity 0.8693 NPC56765
High Similarity 0.8693 NPC206819
High Similarity 0.8675 NPC469765
High Similarity 0.8675 NPC469760
High Similarity 0.8675 NPC469786
High Similarity 0.8675 NPC73952
High Similarity 0.8675 NPC259644
High Similarity 0.8675 NPC469763
High Similarity 0.8675 NPC25008
High Similarity 0.8658 NPC471957
High Similarity 0.8649 NPC159856
High Similarity 0.8636 NPC44773
High Similarity 0.8636 NPC215584
High Similarity 0.8618 NPC80597
High Similarity 0.8618 NPC212376
High Similarity 0.8618 NPC211572
High Similarity 0.8618 NPC75540
High Similarity 0.8618 NPC70922
High Similarity 0.86 NPC321911
High Similarity 0.8591 NPC143872
High Similarity 0.8553 NPC200214
High Similarity 0.8533 NPC469811
High Similarity 0.8533 NPC201380
High Similarity 0.8533 NPC179787
High Similarity 0.8503 NPC2949
Intermediate Similarity 0.8487 NPC470823
Intermediate Similarity 0.8467 NPC63545
Intermediate Similarity 0.8462 NPC475450
Intermediate Similarity 0.8462 NPC179365
Intermediate Similarity 0.8442 NPC469785
Intermediate Similarity 0.8431 NPC141926
Intermediate Similarity 0.8431 NPC325903
Intermediate Similarity 0.8425 NPC150259
Intermediate Similarity 0.8408 NPC317105
Intermediate Similarity 0.8392 NPC22079
Intermediate Similarity 0.8387 NPC469762
Intermediate Similarity 0.8377 NPC34844
Intermediate Similarity 0.8366 NPC216713
Intermediate Similarity 0.8366 NPC470233
Intermediate Similarity 0.8365 NPC201700
Intermediate Similarity 0.8356 NPC325252
Intermediate Similarity 0.8356 NPC218268
Intermediate Similarity 0.8322 NPC473587
Intermediate Similarity 0.8313 NPC194411
Intermediate Similarity 0.8301 NPC33421
Intermediate Similarity 0.8299 NPC251722
Intermediate Similarity 0.8299 NPC314102
Intermediate Similarity 0.8293 NPC314919
Intermediate Similarity 0.8291 NPC311276
Intermediate Similarity 0.8288 NPC198988
Intermediate Similarity 0.8264 NPC475428
Intermediate Similarity 0.8258 NPC38736
Intermediate Similarity 0.8255 NPC59084
Intermediate Similarity 0.8252 NPC473762
Intermediate Similarity 0.8235 NPC124005
Intermediate Similarity 0.8235 NPC2272
Intermediate Similarity 0.8228 NPC470203
Intermediate Similarity 0.8214 NPC41174
Intermediate Similarity 0.821 NPC477611
Intermediate Similarity 0.82 NPC473868
Intermediate Similarity 0.82 NPC63157
Intermediate Similarity 0.8187 NPC49954
Intermediate Similarity 0.8187 NPC160105
Intermediate Similarity 0.8187 NPC474561
Intermediate Similarity 0.8176 NPC194640
Intermediate Similarity 0.8176 NPC40779
Intermediate Similarity 0.817 NPC21605
Intermediate Similarity 0.8165 NPC470204
Intermediate Similarity 0.816 NPC275305
Intermediate Similarity 0.816 NPC37423
Intermediate Similarity 0.8153 NPC236711
Intermediate Similarity 0.8151 NPC473930
Intermediate Similarity 0.8113 NPC282231
Intermediate Similarity 0.8112 NPC250361
Intermediate Similarity 0.811 NPC280852
Intermediate Similarity 0.8107 NPC317030
Intermediate Similarity 0.8105 NPC316069
Intermediate Similarity 0.8075 NPC49217
Intermediate Similarity 0.8072 NPC16659
Intermediate Similarity 0.8067 NPC88097
Intermediate Similarity 0.8061 NPC151939
Intermediate Similarity 0.8061 NPC68354
Intermediate Similarity 0.8061 NPC59269
Intermediate Similarity 0.8054 NPC125746
Intermediate Similarity 0.805 NPC131718
Intermediate Similarity 0.805 NPC279918
Intermediate Similarity 0.805 NPC122141
Intermediate Similarity 0.8025 NPC63751
Intermediate Similarity 0.8023 NPC315617
Intermediate Similarity 0.8023 NPC316359
Intermediate Similarity 0.8013 NPC115611
Intermediate Similarity 0.8012 NPC176199
Intermediate Similarity 0.8012 NPC265710
Intermediate Similarity 0.8012 NPC215795
Intermediate Similarity 0.8012 NPC213468
Intermediate Similarity 0.8 NPC204565
Intermediate Similarity 0.8 NPC16667
Intermediate Similarity 0.8 NPC169433
Intermediate Similarity 0.8 NPC187951
Intermediate Similarity 0.8 NPC37548
Intermediate Similarity 0.7988 NPC314603
Intermediate Similarity 0.7987 NPC129042
Intermediate Similarity 0.7987 NPC221786
Intermediate Similarity 0.7987 NPC475990
Intermediate Similarity 0.7987 NPC230869
Intermediate Similarity 0.7987 NPC474880
Intermediate Similarity 0.7975 NPC184476
Intermediate Similarity 0.7974 NPC242556
Intermediate Similarity 0.7964 NPC300688
Intermediate Similarity 0.7953 NPC65215
Intermediate Similarity 0.7953 NPC173028
Intermediate Similarity 0.7952 NPC284775
Intermediate Similarity 0.7952 NPC473380
Intermediate Similarity 0.7952 NPC240088
Intermediate Similarity 0.795 NPC149265
Intermediate Similarity 0.7935 NPC477134
Intermediate Similarity 0.7922 NPC204141
Intermediate Similarity 0.7919 NPC316018
Intermediate Similarity 0.7919 NPC314058
Intermediate Similarity 0.7911 NPC477815
Intermediate Similarity 0.7902 NPC46358
Intermediate Similarity 0.7901 NPC17751
Intermediate Similarity 0.7901 NPC280864
Intermediate Similarity 0.7892 NPC474958
Intermediate Similarity 0.7891 NPC282398
Intermediate Similarity 0.7862 NPC51054
Intermediate Similarity 0.7853 NPC54988
Intermediate Similarity 0.7847 NPC27740
Intermediate Similarity 0.7844 NPC248454
Intermediate Similarity 0.784 NPC102423
Intermediate Similarity 0.7836 NPC474707
Intermediate Similarity 0.7834 NPC40070
Intermediate Similarity 0.7829 NPC104483
Intermediate Similarity 0.7829 NPC312092
Intermediate Similarity 0.7826 NPC229173
Intermediate Similarity 0.7826 NPC473320
Intermediate Similarity 0.7821 NPC470111
Intermediate Similarity 0.7818 NPC470498
Intermediate Similarity 0.7818 NPC82331
Intermediate Similarity 0.7806 NPC285731
Intermediate Similarity 0.7806 NPC470440
Intermediate Similarity 0.7799 NPC470507
Intermediate Similarity 0.7792 NPC20144
Intermediate Similarity 0.7791 NPC274229
Intermediate Similarity 0.7778 NPC15102
Intermediate Similarity 0.7778 NPC99939
Intermediate Similarity 0.7778 NPC308931
Intermediate Similarity 0.7771 NPC474177
Intermediate Similarity 0.7771 NPC313791
Intermediate Similarity 0.7764 NPC67056
Intermediate Similarity 0.7758 NPC280548
Intermediate Similarity 0.7758 NPC97343
Intermediate Similarity 0.7751 NPC164228
Intermediate Similarity 0.775 NPC285469
Intermediate Similarity 0.7746 NPC213629
Intermediate Similarity 0.7738 NPC14113
Intermediate Similarity 0.7738 NPC145885
Intermediate Similarity 0.7738 NPC84827
Intermediate Similarity 0.773 NPC271734
Intermediate Similarity 0.773 NPC472587
Intermediate Similarity 0.7727 NPC133366
Intermediate Similarity 0.7727 NPC476454
Intermediate Similarity 0.7711 NPC6982
Intermediate Similarity 0.7706 NPC233936
Intermediate Similarity 0.7702 NPC129721
Intermediate Similarity 0.7697 NPC78020
Intermediate Similarity 0.7692 NPC11126
Intermediate Similarity 0.7692 NPC215519
Intermediate Similarity 0.7688 NPC207726

Drug Structure

External Identifiers

TTD   DIB002667
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  242.18
ALogP  -1.3941
MLogP  3
XLogP  4.024
HDA  2
HBD  2
Rotatable Bonds  5
TPSA  27.82
RO5 Violation  0