Drug Information

Drug ID:  NPD1722
Drug Name:  Indalpine
Molecular Formula:  C15H20N2
Canonical SMILES:  N1CCC(CC1)CCc1c[nH]c2c1cccc2
Standard InCHI:  InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2
Standard InCHIKey:  SADQVAVFGNTEOD-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1722

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 0.9624 NPC96102
High Similarity 0.9556 NPC73767
High Similarity 0.9552 NPC105127
High Similarity 0.9552 NPC84911
High Similarity 0.9485 NPC469780
High Similarity 0.9485 NPC469779
High Similarity 0.9485 NPC469783
High Similarity 0.9485 NPC469761
High Similarity 0.9485 NPC469784
High Similarity 0.9485 NPC469768
High Similarity 0.9485 NPC469767
High Similarity 0.9478 NPC29886
High Similarity 0.9478 NPC261195
High Similarity 0.9416 NPC469766
High Similarity 0.9412 NPC110126
High Similarity 0.9357 NPC469811
High Similarity 0.9343 NPC279081
High Similarity 0.9323 NPC82295
High Similarity 0.9291 NPC321911
High Similarity 0.9286 NPC63545
High Similarity 0.9225 NPC53947
High Similarity 0.922 NPC179787
High Similarity 0.922 NPC201380
High Similarity 0.9214 NPC314372
High Similarity 0.9209 NPC190296
High Similarity 0.9203 NPC230002
High Similarity 0.9149 NPC143872
High Similarity 0.9149 NPC288838
High Similarity 0.911 NPC56765
High Similarity 0.9097 NPC325903
High Similarity 0.9078 NPC159856
High Similarity 0.9051 NPC325252
High Similarity 0.9028 NPC470233
High Similarity 0.8978 NPC198988
High Similarity 0.8958 NPC105818
High Similarity 0.8958 NPC24678
High Similarity 0.8951 NPC471957
High Similarity 0.8929 NPC59084
High Similarity 0.8926 NPC90723
High Similarity 0.8919 NPC470204
High Similarity 0.8912 NPC216643
High Similarity 0.8912 NPC286427
High Similarity 0.8865 NPC473868
High Similarity 0.8865 NPC63157
High Similarity 0.8859 NPC470203
High Similarity 0.8857 NPC88097
High Similarity 0.8851 NPC41257
High Similarity 0.8851 NPC318065
High Similarity 0.8851 NPC206819
High Similarity 0.8836 NPC25008
High Similarity 0.8836 NPC469786
High Similarity 0.8836 NPC200214
High Similarity 0.8836 NPC259644
High Similarity 0.8836 NPC469763
High Similarity 0.8836 NPC469760
High Similarity 0.8836 NPC469765
High Similarity 0.8836 NPC73952
High Similarity 0.8824 NPC22079
High Similarity 0.8794 NPC2949
High Similarity 0.8792 NPC122141
High Similarity 0.8784 NPC236711
High Similarity 0.8777 NPC218268
High Similarity 0.8776 NPC80597
High Similarity 0.8776 NPC70922
High Similarity 0.8776 NPC75540
High Similarity 0.8776 NPC211572
High Similarity 0.8776 NPC212376
High Similarity 0.8767 NPC216713
High Similarity 0.8767 NPC470823
High Similarity 0.8725 NPC135141
High Similarity 0.8725 NPC92796
High Similarity 0.8722 NPC46358
High Similarity 0.8716 NPC469785
High Similarity 0.8707 NPC141926
High Similarity 0.8681 NPC204141
High Similarity 0.8675 NPC317105
High Similarity 0.8667 NPC215584
High Similarity 0.8667 NPC44773
High Similarity 0.8667 NPC250361
High Similarity 0.8662 NPC115611
High Similarity 0.8658 NPC469762
High Similarity 0.8649 NPC34844
High Similarity 0.8582 NPC125746
High Similarity 0.8582 NPC150259
High Similarity 0.8582 NPC314102
High Similarity 0.8582 NPC251722
High Similarity 0.8562 NPC49954
High Similarity 0.8562 NPC470111
High Similarity 0.8562 NPC474561
High Similarity 0.8562 NPC21605
High Similarity 0.8551 NPC475428
High Similarity 0.8543 NPC279918
High Similarity 0.854 NPC473762
High Similarity 0.8519 NPC27740
High Similarity 0.8507 NPC41174
Intermediate Similarity 0.8497 NPC274229
Intermediate Similarity 0.8493 NPC316069
Intermediate Similarity 0.8489 NPC475450
Intermediate Similarity 0.8487 NPC282231
Intermediate Similarity 0.8478 NPC473587
Intermediate Similarity 0.8471 NPC474958
Intermediate Similarity 0.8452 NPC194411
Intermediate Similarity 0.8446 NPC33421
Intermediate Similarity 0.8442 NPC160105
Intermediate Similarity 0.8431 NPC311276
Intermediate Similarity 0.8425 NPC470440
Intermediate Similarity 0.8421 NPC131718
Intermediate Similarity 0.8417 NPC282398
Intermediate Similarity 0.8397 NPC82331
Intermediate Similarity 0.8387 NPC63751
Intermediate Similarity 0.8387 NPC201700
Intermediate Similarity 0.8377 NPC280864
Intermediate Similarity 0.8377 NPC17751
Intermediate Similarity 0.8357 NPC179365
Intermediate Similarity 0.8355 NPC230869
Intermediate Similarity 0.8354 NPC280852
Intermediate Similarity 0.8346 NPC91958
Intermediate Similarity 0.8344 NPC477611
Intermediate Similarity 0.8333 NPC97343
Intermediate Similarity 0.8323 NPC54988
Intermediate Similarity 0.8322 NPC40070
Intermediate Similarity 0.8321 NPC166424
Intermediate Similarity 0.8321 NPC146373
Intermediate Similarity 0.8321 NPC245244
Intermediate Similarity 0.8312 NPC40779
Intermediate Similarity 0.8298 NPC473930
Intermediate Similarity 0.8291 NPC275305
Intermediate Similarity 0.8291 NPC37423
Intermediate Similarity 0.8264 NPC169433
Intermediate Similarity 0.8247 NPC225018
Intermediate Similarity 0.8235 NPC474880
Intermediate Similarity 0.8235 NPC475990
Intermediate Similarity 0.8235 NPC221786
Intermediate Similarity 0.8228 NPC314603
Intermediate Similarity 0.8205 NPC49217
Intermediate Similarity 0.8194 NPC194640
Intermediate Similarity 0.8194 NPC102423
Intermediate Similarity 0.8194 NPC149265
Intermediate Similarity 0.8187 NPC68354
Intermediate Similarity 0.8165 NPC470498
Intermediate Similarity 0.8151 NPC284635
Intermediate Similarity 0.8148 NPC307191
Intermediate Similarity 0.8137 NPC215795
Intermediate Similarity 0.8137 NPC176199
Intermediate Similarity 0.8134 NPC81561
Intermediate Similarity 0.8133 NPC2272
Intermediate Similarity 0.8105 NPC476464
Intermediate Similarity 0.8099 NPC101165
Intermediate Similarity 0.8095 NPC476454
Intermediate Similarity 0.8082 NPC104483
Intermediate Similarity 0.8075 NPC151939
Intermediate Similarity 0.8075 NPC59269
Intermediate Similarity 0.8075 NPC248454
Intermediate Similarity 0.8074 NPC143603
Intermediate Similarity 0.8065 NPC229173
Intermediate Similarity 0.806 NPC148140
Intermediate Similarity 0.8054 NPC285731
Intermediate Similarity 0.8041 NPC20144
Intermediate Similarity 0.8039 NPC476297
Intermediate Similarity 0.8039 NPC476219
Intermediate Similarity 0.8038 NPC78020
Intermediate Similarity 0.8029 NPC265605
Intermediate Similarity 0.8029 NPC182570
Intermediate Similarity 0.8029 NPC48564
Intermediate Similarity 0.8025 NPC11126
Intermediate Similarity 0.8025 NPC42372
Intermediate Similarity 0.8025 NPC213468
Intermediate Similarity 0.8013 NPC37548
Intermediate Similarity 0.8 NPC313791
Intermediate Similarity 0.7987 NPC51054
Intermediate Similarity 0.7987 NPC242556
Intermediate Similarity 0.7975 NPC314919
Intermediate Similarity 0.7975 NPC300688
Intermediate Similarity 0.7963 NPC145885
Intermediate Similarity 0.7963 NPC14113
Intermediate Similarity 0.7963 NPC84827
Intermediate Similarity 0.7963 NPC284775
Intermediate Similarity 0.7962 NPC478184
Intermediate Similarity 0.7962 NPC247987
Intermediate Similarity 0.7962 NPC271797
Intermediate Similarity 0.7962 NPC21174
Intermediate Similarity 0.7959 NPC32002
Intermediate Similarity 0.7959 NPC315348
Intermediate Similarity 0.7959 NPC312092
Intermediate Similarity 0.7959 NPC316811
Intermediate Similarity 0.7958 NPC475105
Intermediate Similarity 0.7958 NPC329896
Intermediate Similarity 0.7958 NPC475090
Intermediate Similarity 0.795 NPC110500
Intermediate Similarity 0.795 NPC149155
Intermediate Similarity 0.795 NPC203468
Intermediate Similarity 0.795 NPC471579
Intermediate Similarity 0.795 NPC280297
Intermediate Similarity 0.7947 NPC477134
Intermediate Similarity 0.7941 NPC54102
Intermediate Similarity 0.7941 NPC162689
Intermediate Similarity 0.7939 NPC228835
Intermediate Similarity 0.7935 NPC129721
Intermediate Similarity 0.7933 NPC86288
Intermediate Similarity 0.7927 NPC233936

Drug Structure

External Identifiers

TTD  
DrugBank   DB08953
ChEMBL   CHEMBL276520
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI   134939
CAS Number  63758-79-2

Drug Properties

Molecular Weight  228.16
ALogP  -1.3817
MLogP  2.89
XLogP  3.418
HDA  2
HBD  2
Rotatable Bonds  3
TPSA  27.82
RO5 Violation  0