Drug Information

Drug ID:  NPD4547
Drug Name:  Latrepirdine
Molecular Formula:  C21H25N3
Canonical SMILES:  CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccc(nc1)C
Standard InCHI:  InChI=1S/C21H25N3/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17/h4-7,12-13H,8-11,14H2,1-3H3
Standard InCHIKey:  JNODQFNWMXFMEV-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4547

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 0.9306 NPC40070
High Similarity 0.9209 NPC314102
High Similarity 0.9209 NPC251722
High Similarity 0.8803 NPC150259
High Similarity 0.8741 NPC169433
High Similarity 0.8725 NPC470233
High Similarity 0.863 NPC20144
High Similarity 0.8627 NPC215584
High Similarity 0.8627 NPC44773
High Similarity 0.8523 NPC470111
Intermediate Similarity 0.8442 NPC56765
Intermediate Similarity 0.8425 NPC73767
Intermediate Similarity 0.8425 NPC110126
Intermediate Similarity 0.8406 NPC46358
Intermediate Similarity 0.84 NPC21605
Intermediate Similarity 0.84 NPC179787
Intermediate Similarity 0.84 NPC201380
Intermediate Similarity 0.8397 NPC90723
Intermediate Similarity 0.8397 NPC478182
Intermediate Similarity 0.8389 NPC86288
Intermediate Similarity 0.8367 NPC469767
Intermediate Similarity 0.8367 NPC469783
Intermediate Similarity 0.8367 NPC469761
Intermediate Similarity 0.8367 NPC469784
Intermediate Similarity 0.8367 NPC469768
Intermediate Similarity 0.8367 NPC469779
Intermediate Similarity 0.8367 NPC469780
Intermediate Similarity 0.8366 NPC476219
Intermediate Similarity 0.8345 NPC122718
Intermediate Similarity 0.8344 NPC321911
Intermediate Similarity 0.8333 NPC63545
Intermediate Similarity 0.8312 NPC51054
Intermediate Similarity 0.8311 NPC469766
Intermediate Similarity 0.8301 NPC325903
Intermediate Similarity 0.8299 NPC104483
Intermediate Similarity 0.8289 NPC53947
Intermediate Similarity 0.8288 NPC105127
Intermediate Similarity 0.8288 NPC84911
Intermediate Similarity 0.8278 NPC469811
Intermediate Similarity 0.8252 NPC69914
Intermediate Similarity 0.8219 NPC96102
Intermediate Similarity 0.8219 NPC261195
Intermediate Similarity 0.8219 NPC29886
Intermediate Similarity 0.8214 NPC476322
Intermediate Similarity 0.8212 NPC288838
Intermediate Similarity 0.8205 NPC318065
Intermediate Similarity 0.8205 NPC477591
Intermediate Similarity 0.8205 NPC206819
Intermediate Similarity 0.8205 NPC293487
Intermediate Similarity 0.8188 NPC215519
Intermediate Similarity 0.8182 NPC476131
Intermediate Similarity 0.8176 NPC88097
Intermediate Similarity 0.8176 NPC56233
Intermediate Similarity 0.8165 NPC478184
Intermediate Similarity 0.8141 NPC129721
Intermediate Similarity 0.8129 NPC265605
Intermediate Similarity 0.8129 NPC182570
Intermediate Similarity 0.8129 NPC48564
Intermediate Similarity 0.8121 NPC59084
Intermediate Similarity 0.8098 NPC280852
Intermediate Similarity 0.8067 NPC473868
Intermediate Similarity 0.8067 NPC63157
Intermediate Similarity 0.8065 NPC138842
Intermediate Similarity 0.8063 NPC478183
Intermediate Similarity 0.805 NPC317105
Intermediate Similarity 0.8043 NPC91958
Intermediate Similarity 0.8027 NPC198988
Intermediate Similarity 0.8026 NPC314372
Intermediate Similarity 0.8026 NPC285731
Intermediate Similarity 0.8025 NPC216643
Intermediate Similarity 0.8025 NPC286427
Intermediate Similarity 0.8025 NPC236711
Intermediate Similarity 0.8013 NPC476297
Intermediate Similarity 0.8013 NPC190296
Intermediate Similarity 0.8 NPC2949
Intermediate Similarity 0.8 NPC279081
Intermediate Similarity 0.8 NPC282398
Intermediate Similarity 0.7987 NPC478185
Intermediate Similarity 0.7987 NPC470203
Intermediate Similarity 0.7975 NPC41257
Intermediate Similarity 0.7971 NPC297486
Intermediate Similarity 0.7971 NPC471402
Intermediate Similarity 0.7971 NPC240136
Intermediate Similarity 0.7971 NPC81561
Intermediate Similarity 0.7963 NPC91895
Intermediate Similarity 0.7945 NPC179365
Intermediate Similarity 0.7945 NPC475450
Intermediate Similarity 0.7945 NPC82295
Intermediate Similarity 0.7943 NPC329825
Intermediate Similarity 0.7935 NPC105818
Intermediate Similarity 0.7935 NPC24678
Intermediate Similarity 0.7935 NPC33421
Intermediate Similarity 0.7933 NPC316811
Intermediate Similarity 0.7933 NPC315348
Intermediate Similarity 0.7933 NPC32002
Intermediate Similarity 0.7927 NPC471579
Intermediate Similarity 0.7925 NPC470204
Intermediate Similarity 0.7925 NPC122141
Intermediate Similarity 0.7914 NPC162689
Intermediate Similarity 0.7914 NPC82331
Intermediate Similarity 0.7914 NPC201634
Intermediate Similarity 0.7914 NPC54102
Intermediate Similarity 0.7899 NPC148140
Intermediate Similarity 0.7888 NPC195507
Intermediate Similarity 0.7888 NPC2165
Intermediate Similarity 0.7881 NPC230002
Intermediate Similarity 0.7881 NPC115611
Intermediate Similarity 0.7875 NPC225018
Intermediate Similarity 0.7862 NPC92796
Intermediate Similarity 0.7862 NPC135141
Intermediate Similarity 0.7857 NPC143872
Intermediate Similarity 0.7853 NPC194411
Intermediate Similarity 0.7853 NPC32534
Intermediate Similarity 0.7852 NPC325252
Intermediate Similarity 0.7834 NPC200214
Intermediate Similarity 0.7834 NPC73952
Intermediate Similarity 0.7834 NPC469763
Intermediate Similarity 0.7834 NPC469760
Intermediate Similarity 0.7834 NPC469765
Intermediate Similarity 0.7834 NPC25008
Intermediate Similarity 0.7834 NPC469786
Intermediate Similarity 0.7834 NPC259644
Intermediate Similarity 0.7831 NPC157583
Intermediate Similarity 0.7812 NPC81229
Intermediate Similarity 0.7812 NPC255229
Intermediate Similarity 0.7812 NPC229173
Intermediate Similarity 0.7808 NPC473587
Intermediate Similarity 0.7806 NPC471957
Intermediate Similarity 0.7792 NPC159856
Intermediate Similarity 0.7786 NPC143603
Intermediate Similarity 0.7785 NPC211572
Intermediate Similarity 0.7785 NPC80597
Intermediate Similarity 0.7785 NPC75540
Intermediate Similarity 0.7785 NPC212376
Intermediate Similarity 0.7785 NPC70922
Intermediate Similarity 0.7778 NPC146373
Intermediate Similarity 0.7778 NPC166424
Intermediate Similarity 0.7778 NPC245244
Intermediate Similarity 0.7771 NPC474958
Intermediate Similarity 0.777 NPC473930
Intermediate Similarity 0.777 NPC476566
Intermediate Similarity 0.7755 NPC475428
Intermediate Similarity 0.7755 NPC22079
Intermediate Similarity 0.775 NPC474880
Intermediate Similarity 0.775 NPC475990
Intermediate Similarity 0.775 NPC221786
Intermediate Similarity 0.774 NPC473762
Intermediate Similarity 0.7736 NPC476464
Intermediate Similarity 0.7711 NPC275305
Intermediate Similarity 0.7711 NPC37423
Intermediate Similarity 0.7708 NPC27740
Intermediate Similarity 0.7688 NPC231536
Intermediate Similarity 0.7679 NPC12649
Intermediate Similarity 0.7673 NPC34844
Intermediate Similarity 0.7669 NPC274229
Intermediate Similarity 0.7658 NPC470823
Intermediate Similarity 0.7654 NPC194881
Intermediate Similarity 0.764 NPC6436
Intermediate Similarity 0.7639 NPC290094
Intermediate Similarity 0.7628 NPC478186
Intermediate Similarity 0.7625 NPC469785
Intermediate Similarity 0.7619 NPC68354
Intermediate Similarity 0.761 NPC141926
Intermediate Similarity 0.7607 NPC194640
Intermediate Similarity 0.7605 NPC297034
Intermediate Similarity 0.7603 NPC250361
Intermediate Similarity 0.7584 NPC256893
Intermediate Similarity 0.7584 NPC101165
Intermediate Similarity 0.7578 NPC469762
Intermediate Similarity 0.7576 NPC63751
Intermediate Similarity 0.7574 NPC176199
Intermediate Similarity 0.7574 NPC215795
Intermediate Similarity 0.7564 NPC469525
Intermediate Similarity 0.7564 NPC470440
Intermediate Similarity 0.7547 NPC216713
Intermediate Similarity 0.7545 NPC477611
Intermediate Similarity 0.7532 NPC284635
Intermediate Similarity 0.753 NPC97343
Intermediate Similarity 0.753 NPC474897
Intermediate Similarity 0.7529 NPC255909
Intermediate Similarity 0.7529 NPC24864
Intermediate Similarity 0.7529 NPC314919
Intermediate Similarity 0.7515 NPC474561
Intermediate Similarity 0.7515 NPC237188
Intermediate Similarity 0.7515 NPC49954
Intermediate Similarity 0.75 NPC311276
Intermediate Similarity 0.75 NPC218268
Intermediate Similarity 0.75 NPC317054
Intermediate Similarity 0.75 NPC271797
Intermediate Similarity 0.75 NPC21174
Intermediate Similarity 0.7486 NPC265576
Intermediate Similarity 0.7483 NPC169625
Intermediate Similarity 0.7483 NPC202957
Intermediate Similarity 0.7471 NPC248462
Intermediate Similarity 0.747 NPC201700
Intermediate Similarity 0.7469 NPC193740
Intermediate Similarity 0.7469 NPC167635
Intermediate Similarity 0.7468 NPC312092
Intermediate Similarity 0.7464 NPC27802
Intermediate Similarity 0.7456 NPC203754

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  319.20
ALogP  1.2126
MLogP  3.44
XLogP  4.51
HDA  3
HBD  0
Rotatable Bonds  6
TPSA  21.06
RO5 Violation  0