Drug Information

Drug ID:  NPD3944
Drug Name:  Azatadine
Molecular Formula:  C20H22N2
Canonical SMILES:  CN1CCC(=C2c3ccccc3CCc3c2nccc3)CC1
Standard InCHI:  InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3
Standard InCHIKey:  SEBMTIQKRHYNIT-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD3944

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 0.8889 NPC314102
High Similarity 0.8889 NPC251722
High Similarity 0.8692 NPC476322
High Similarity 0.8661 NPC91958
High Similarity 0.8661 NPC143603
High Similarity 0.8623 NPC316811
High Similarity 0.8623 NPC32002
High Similarity 0.8623 NPC315348
High Similarity 0.8601 NPC40070
High Similarity 0.8583 NPC240136
High Similarity 0.8583 NPC471402
High Similarity 0.8583 NPC297486
High Similarity 0.8582 NPC69914
High Similarity 0.8538 NPC329825
High Similarity 0.8507 NPC476131
Intermediate Similarity 0.8473 NPC46358
Intermediate Similarity 0.8451 NPC86288
Intermediate Similarity 0.8444 NPC282398
Intermediate Similarity 0.8417 NPC169433
Intermediate Similarity 0.8414 NPC470233
Intermediate Similarity 0.8346 NPC146373
Intermediate Similarity 0.8346 NPC166424
Intermediate Similarity 0.8346 NPC245244
Intermediate Similarity 0.8345 NPC150259
Intermediate Similarity 0.8333 NPC290094
Intermediate Similarity 0.8321 NPC182570
Intermediate Similarity 0.8321 NPC265605
Intermediate Similarity 0.8321 NPC48564
Intermediate Similarity 0.8248 NPC256893
Intermediate Similarity 0.8235 NPC116961
Intermediate Similarity 0.8182 NPC20144
Intermediate Similarity 0.8175 NPC27802
Intermediate Similarity 0.8148 NPC169625
Intermediate Similarity 0.8148 NPC202957
Intermediate Similarity 0.8133 NPC56765
Intermediate Similarity 0.8116 NPC101165
Intermediate Similarity 0.8108 NPC138842
Intermediate Similarity 0.8099 NPC73767
Intermediate Similarity 0.8042 NPC469784
Intermediate Similarity 0.8042 NPC469779
Intermediate Similarity 0.8042 NPC469767
Intermediate Similarity 0.8042 NPC469780
Intermediate Similarity 0.8042 NPC469768
Intermediate Similarity 0.8042 NPC469783
Intermediate Similarity 0.8042 NPC469761
Intermediate Similarity 0.8029 NPC89490
Intermediate Similarity 0.8015 NPC81561
Intermediate Similarity 0.8 NPC51054
Intermediate Similarity 0.7986 NPC469766
Intermediate Similarity 0.7972 NPC110126
Intermediate Similarity 0.7971 NPC475090
Intermediate Similarity 0.7971 NPC329896
Intermediate Similarity 0.7971 NPC475105
Intermediate Similarity 0.7959 NPC470111
Intermediate Similarity 0.7958 NPC84911
Intermediate Similarity 0.7939 NPC148140
Intermediate Similarity 0.7939 NPC476566
Intermediate Similarity 0.7937 NPC76540
Intermediate Similarity 0.7937 NPC231655
Intermediate Similarity 0.7895 NPC318065
Intermediate Similarity 0.7895 NPC206819
Intermediate Similarity 0.7887 NPC29886
Intermediate Similarity 0.7887 NPC261195
Intermediate Similarity 0.7887 NPC96102
Intermediate Similarity 0.7868 NPC27740
Intermediate Similarity 0.7857 NPC90723
Intermediate Similarity 0.7847 NPC88097
Intermediate Similarity 0.7847 NPC104483
Intermediate Similarity 0.7843 NPC44773
Intermediate Similarity 0.7843 NPC215584
Intermediate Similarity 0.7838 NPC21605
Intermediate Similarity 0.7838 NPC201380
Intermediate Similarity 0.7838 NPC179787
Intermediate Similarity 0.7832 NPC105127
Intermediate Similarity 0.7829 NPC286427
Intermediate Similarity 0.7829 NPC129721
Intermediate Similarity 0.7826 NPC471313
Intermediate Similarity 0.7826 NPC471311
Intermediate Similarity 0.782 NPC54102
Intermediate Similarity 0.782 NPC162689
Intermediate Similarity 0.7785 NPC321911
Intermediate Similarity 0.7778 NPC41257
Intermediate Similarity 0.777 NPC63545
Intermediate Similarity 0.7748 NPC325903
Intermediate Similarity 0.7742 NPC478182
Intermediate Similarity 0.774 NPC63157
Intermediate Similarity 0.774 NPC473868
Intermediate Similarity 0.7737 NPC122718
Intermediate Similarity 0.7733 NPC53947
Intermediate Similarity 0.7722 NPC201634
Intermediate Similarity 0.7718 NPC477974
Intermediate Similarity 0.7718 NPC469811
Intermediate Similarity 0.7712 NPC193740
Intermediate Similarity 0.7712 NPC469897
Intermediate Similarity 0.7712 NPC167635
Intermediate Similarity 0.7704 NPC215519
Intermediate Similarity 0.7703 NPC314372
Intermediate Similarity 0.7692 NPC198988
Intermediate Similarity 0.7687 NPC190296
Intermediate Similarity 0.7671 NPC279081
Intermediate Similarity 0.7671 NPC59084
Intermediate Similarity 0.7671 NPC2949
Intermediate Similarity 0.7651 NPC288838
Intermediate Similarity 0.7647 NPC476464
Intermediate Similarity 0.7634 NPC235843
Intermediate Similarity 0.7616 NPC33421
Intermediate Similarity 0.7616 NPC24678
Intermediate Similarity 0.7616 NPC105818
Intermediate Similarity 0.7606 NPC471322
Intermediate Similarity 0.7606 NPC82295
Intermediate Similarity 0.7584 NPC285731
Intermediate Similarity 0.7582 NPC476219
Intermediate Similarity 0.7578 NPC280852
Intermediate Similarity 0.7551 NPC230002
Intermediate Similarity 0.7548 NPC80681
Intermediate Similarity 0.7548 NPC477591
Intermediate Similarity 0.7548 NPC293487
Intermediate Similarity 0.7547 NPC194411
Intermediate Similarity 0.7533 NPC143872
Intermediate Similarity 0.7532 NPC56233
Intermediate Similarity 0.7517 NPC325252
Intermediate Similarity 0.7516 NPC469763
Intermediate Similarity 0.7516 NPC469786
Intermediate Similarity 0.7516 NPC259644
Intermediate Similarity 0.7516 NPC25008
Intermediate Similarity 0.7516 NPC469765
Intermediate Similarity 0.7516 NPC469760
Intermediate Similarity 0.7516 NPC73952
Intermediate Similarity 0.7516 NPC200214
Intermediate Similarity 0.7484 NPC216643
Intermediate Similarity 0.7484 NPC236711
Intermediate Similarity 0.7483 NPC324611
Intermediate Similarity 0.7483 NPC471957
Intermediate Similarity 0.7469 NPC150048
Intermediate Similarity 0.7469 NPC203754
Intermediate Similarity 0.7468 NPC75540
Intermediate Similarity 0.7468 NPC211572
Intermediate Similarity 0.7468 NPC212376
Intermediate Similarity 0.7468 NPC70922
Intermediate Similarity 0.7468 NPC80597
Intermediate Similarity 0.7467 NPC159856
Intermediate Similarity 0.7466 NPC65408
Intermediate Similarity 0.746 NPC83987
Intermediate Similarity 0.7452 NPC471177
Intermediate Similarity 0.7452 NPC59779
Intermediate Similarity 0.7452 NPC124542
Intermediate Similarity 0.7452 NPC470203
Intermediate Similarity 0.745 NPC477977
Intermediate Similarity 0.7447 NPC278451
Intermediate Similarity 0.7421 NPC478183
Intermediate Similarity 0.7413 NPC22079
Intermediate Similarity 0.7407 NPC275305
Intermediate Similarity 0.7407 NPC37423
Intermediate Similarity 0.7405 NPC317105
Intermediate Similarity 0.7405 NPC265100
Intermediate Similarity 0.7405 NPC478184
Intermediate Similarity 0.7389 NPC470204
Intermediate Similarity 0.7389 NPC81229
Intermediate Similarity 0.7389 NPC122141
Intermediate Similarity 0.7389 NPC255229
Intermediate Similarity 0.7375 NPC70949
Intermediate Similarity 0.7358 NPC471178
Intermediate Similarity 0.7355 NPC34844
Intermediate Similarity 0.7355 NPC476297
Intermediate Similarity 0.7351 NPC469525
Intermediate Similarity 0.7347 NPC471312
Intermediate Similarity 0.7342 NPC225018
Intermediate Similarity 0.7342 NPC478185
Intermediate Similarity 0.7338 NPC470823
Intermediate Similarity 0.7329 NPC91895
Intermediate Similarity 0.7325 NPC475990
Intermediate Similarity 0.7325 NPC6436
Intermediate Similarity 0.7325 NPC92796
Intermediate Similarity 0.7325 NPC135141
Intermediate Similarity 0.7325 NPC221786
Intermediate Similarity 0.7325 NPC474880
Intermediate Similarity 0.7317 NPC237188
Intermediate Similarity 0.7317 NPC157583
Intermediate Similarity 0.7317 NPC68354
Intermediate Similarity 0.7312 NPC98187
Intermediate Similarity 0.7308 NPC469785
Intermediate Similarity 0.7302 NPC213774
Intermediate Similarity 0.7301 NPC297034
Intermediate Similarity 0.7301 NPC471579
Intermediate Similarity 0.7296 NPC78375
Intermediate Similarity 0.7296 NPC476446
Intermediate Similarity 0.7296 NPC469813
Intermediate Similarity 0.729 NPC141926
Intermediate Similarity 0.7284 NPC82331
Intermediate Similarity 0.7278 NPC229173
Intermediate Similarity 0.7273 NPC215795
Intermediate Similarity 0.7273 NPC176199
Intermediate Similarity 0.7267 NPC476454
Intermediate Similarity 0.7261 NPC469762
Intermediate Similarity 0.7254 NPC476140
Intermediate Similarity 0.725 NPC2165
Intermediate Similarity 0.725 NPC195507
Intermediate Similarity 0.7241 NPC475450
Intermediate Similarity 0.7237 NPC470440
Intermediate Similarity 0.7233 NPC194881

Drug Structure

External Identifiers

TTD   DAP001079
DrugBank   DB00719
ChEMBL   CHEMBL946
IUPHAR/BPS   7119
PharmaGKB   PA164747157
KEGG Drug  
PubChem CID   19861
ChEBI   2946
CAS Number  3964-81-6

Drug Properties

Molecular Weight  290.18
ALogP  0.8513
MLogP  3.44
XLogP  4.839
HDA  2
HBD  0
Rotatable Bonds  1
TPSA  16.13
RO5 Violation  0