Drug Information

Drug ID:  NPD3339
Drug Name:  Desloratadine
Molecular Formula:  C19H19ClN2
Canonical SMILES:  Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1
Standard InCHI:  InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
Standard InCHIKey:  JAUOIFJMECXRGI-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD3339

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 0.8828 NPC32002
High Similarity 0.8828 NPC315348
High Similarity 0.8671 NPC116961
Intermediate Similarity 0.8452 NPC476464
Intermediate Similarity 0.8092 NPC476454
Intermediate Similarity 0.8056 NPC146373
Intermediate Similarity 0.8056 NPC245244
Intermediate Similarity 0.8056 NPC166424
Intermediate Similarity 0.7905 NPC282398
Intermediate Similarity 0.7799 NPC470233
Intermediate Similarity 0.7778 NPC477591
Intermediate Similarity 0.7733 NPC101165
Intermediate Similarity 0.7712 NPC314102
Intermediate Similarity 0.7712 NPC251722
Intermediate Similarity 0.7692 NPC91958
Intermediate Similarity 0.7692 NPC143603
Intermediate Similarity 0.7677 NPC469784
Intermediate Similarity 0.7677 NPC469768
Intermediate Similarity 0.7677 NPC469783
Intermediate Similarity 0.7677 NPC469761
Intermediate Similarity 0.7677 NPC469767
Intermediate Similarity 0.7677 NPC469779
Intermediate Similarity 0.7677 NPC469780
Intermediate Similarity 0.7669 NPC56765
Intermediate Similarity 0.7661 NPC314919
Intermediate Similarity 0.7647 NPC96102
Intermediate Similarity 0.7628 NPC469766
Intermediate Similarity 0.7619 NPC27740
Intermediate Similarity 0.7619 NPC476322
Intermediate Similarity 0.7613 NPC73767
Intermediate Similarity 0.7597 NPC105127
Intermediate Similarity 0.7597 NPC84911
Intermediate Similarity 0.7595 NPC86288
Intermediate Similarity 0.7551 NPC46358
Intermediate Similarity 0.755 NPC69914
Intermediate Similarity 0.7548 NPC169433
Intermediate Similarity 0.7533 NPC89490
Intermediate Similarity 0.7532 NPC29886
Intermediate Similarity 0.7532 NPC261195
Intermediate Similarity 0.7531 NPC325903
Intermediate Similarity 0.7516 NPC40070
Intermediate Similarity 0.75 NPC316811
Intermediate Similarity 0.75 NPC286427
Intermediate Similarity 0.75 NPC240136
Intermediate Similarity 0.75 NPC110126
Intermediate Similarity 0.75 NPC471402
Intermediate Similarity 0.75 NPC469811
Intermediate Similarity 0.75 NPC297486
Intermediate Similarity 0.7484 NPC471312
Intermediate Similarity 0.7483 NPC329825
Intermediate Similarity 0.7483 NPC475105
Intermediate Similarity 0.7483 NPC475090
Intermediate Similarity 0.7483 NPC476131
Intermediate Similarity 0.7483 NPC329896
Intermediate Similarity 0.7471 NPC83381
Intermediate Similarity 0.7455 NPC206819
Intermediate Similarity 0.7455 NPC41257
Intermediate Similarity 0.7455 NPC318065
Intermediate Similarity 0.7453 NPC321911
Intermediate Similarity 0.7452 NPC279081
Intermediate Similarity 0.7438 NPC288838
Intermediate Similarity 0.7438 NPC63545
Intermediate Similarity 0.743 NPC315617
Intermediate Similarity 0.743 NPC316359
Intermediate Similarity 0.7425 NPC90723
Intermediate Similarity 0.7412 NPC201634
Intermediate Similarity 0.741 NPC215584
Intermediate Similarity 0.741 NPC44773
Intermediate Similarity 0.7407 NPC53947
Intermediate Similarity 0.7394 NPC167635
Intermediate Similarity 0.7394 NPC469897
Intermediate Similarity 0.7394 NPC193740
Intermediate Similarity 0.7391 NPC179787
Intermediate Similarity 0.7391 NPC201380
Intermediate Similarity 0.7389 NPC88097
Intermediate Similarity 0.7386 NPC256893
Intermediate Similarity 0.7386 NPC82295
Intermediate Similarity 0.7375 NPC314372
Intermediate Similarity 0.7358 NPC190296
Intermediate Similarity 0.7351 NPC471617
Intermediate Similarity 0.7342 NPC230002
Intermediate Similarity 0.7333 NPC314058
Intermediate Similarity 0.7333 NPC316018
Intermediate Similarity 0.7329 NPC143872
Intermediate Similarity 0.7317 NPC138842
Intermediate Similarity 0.7315 NPC290094
Intermediate Similarity 0.7301 NPC105818
Intermediate Similarity 0.7301 NPC24678
Intermediate Similarity 0.7289 NPC216643
Intermediate Similarity 0.7284 NPC21605
Intermediate Similarity 0.7267 NPC159856
Intermediate Similarity 0.7262 NPC470203
Intermediate Similarity 0.7261 NPC150259
Intermediate Similarity 0.7229 NPC115049
Intermediate Similarity 0.7219 NPC317105
Intermediate Similarity 0.7212 NPC469765
Intermediate Similarity 0.7212 NPC469786
Intermediate Similarity 0.7212 NPC25008
Intermediate Similarity 0.7212 NPC469760
Intermediate Similarity 0.7212 NPC259644
Intermediate Similarity 0.7212 NPC469763
Intermediate Similarity 0.7212 NPC73952
Intermediate Similarity 0.7202 NPC122141
Intermediate Similarity 0.7202 NPC470204
Intermediate Similarity 0.7197 NPC325252
Intermediate Similarity 0.7188 NPC63157
Intermediate Similarity 0.7188 NPC473868
Intermediate Similarity 0.7181 NPC48564
Intermediate Similarity 0.7181 NPC265605
Intermediate Similarity 0.7181 NPC182570
Intermediate Similarity 0.7178 NPC471957
Intermediate Similarity 0.7171 NPC202957
Intermediate Similarity 0.7171 NPC169625
Intermediate Similarity 0.7169 NPC211572
Intermediate Similarity 0.7169 NPC75540
Intermediate Similarity 0.7169 NPC80597
Intermediate Similarity 0.7169 NPC476219
Intermediate Similarity 0.7169 NPC212376
Intermediate Similarity 0.7169 NPC70922
Intermediate Similarity 0.7161 NPC471322
Intermediate Similarity 0.7151 NPC194411
Intermediate Similarity 0.7143 NPC20144
Intermediate Similarity 0.7143 NPC92796
Intermediate Similarity 0.7143 NPC135141
Intermediate Similarity 0.7134 NPC198988
Intermediate Similarity 0.7133 NPC27802
Intermediate Similarity 0.7126 NPC469785
Intermediate Similarity 0.7125 NPC2949
Intermediate Similarity 0.7125 NPC59084
Intermediate Similarity 0.7108 NPC200214
Intermediate Similarity 0.7091 NPC33421
Intermediate Similarity 0.7086 NPC280852
Intermediate Similarity 0.7083 NPC469762
Intermediate Similarity 0.7083 NPC236711
Intermediate Similarity 0.7073 NPC470111
Intermediate Similarity 0.7059 NPC225018
Intermediate Similarity 0.7048 NPC470823
Intermediate Similarity 0.7048 NPC216713
Intermediate Similarity 0.7029 NPC275305
Intermediate Similarity 0.7029 NPC37423
Intermediate Similarity 0.7027 NPC81561
Intermediate Similarity 0.7024 NPC51054
Intermediate Similarity 0.7018 NPC162799
Intermediate Similarity 0.7006 NPC141926
Remote Similarity 0.6994 NPC63751
Remote Similarity 0.6987 NPC22079
Remote Similarity 0.6981 NPC218268
Remote Similarity 0.698 NPC54102
Remote Similarity 0.698 NPC162689
Remote Similarity 0.6964 NPC34844
Remote Similarity 0.6964 NPC476297
Remote Similarity 0.6959 NPC148140
Remote Similarity 0.6951 NPC204141
Remote Similarity 0.6949 NPC68354
Remote Similarity 0.6941 NPC475990
Remote Similarity 0.6941 NPC474880
Remote Similarity 0.6941 NPC221786
Remote Similarity 0.6936 NPC49954
Remote Similarity 0.6936 NPC474561
Remote Similarity 0.6932 NPC471579
Remote Similarity 0.6923 NPC76540
Remote Similarity 0.6923 NPC231655
Remote Similarity 0.6919 NPC476446
Remote Similarity 0.6919 NPC311276
Remote Similarity 0.6919 NPC78375
Remote Similarity 0.6919 NPC469813
Remote Similarity 0.6914 NPC115611
Remote Similarity 0.691 NPC176199
Remote Similarity 0.691 NPC215795
Remote Similarity 0.6903 NPC471311
Remote Similarity 0.6903 NPC471313
Remote Similarity 0.6901 NPC279918
Remote Similarity 0.6897 NPC201700
Remote Similarity 0.6893 NPC474958
Remote Similarity 0.6882 NPC129721
Remote Similarity 0.6879 NPC274229
Remote Similarity 0.686 NPC282231
Remote Similarity 0.6852 NPC104483
Remote Similarity 0.6851 NPC467063
Remote Similarity 0.6846 NPC476566
Remote Similarity 0.6839 NPC160105
Remote Similarity 0.6839 NPC250361
Remote Similarity 0.6835 NPC475450
Remote Similarity 0.6832 NPC125746
Remote Similarity 0.6821 NPC40779
Remote Similarity 0.6821 NPC478184
Remote Similarity 0.6821 NPC478182
Remote Similarity 0.6818 NPC82331
Remote Similarity 0.6818 NPC122718
Remote Similarity 0.6807 NPC316069
Remote Similarity 0.6803 NPC235843
Remote Similarity 0.6802 NPC229173
Remote Similarity 0.6802 NPC131718
Remote Similarity 0.6792 NPC473930
Remote Similarity 0.6782 NPC17751
Remote Similarity 0.6782 NPC280864
Remote Similarity 0.678 NPC477611
Remote Similarity 0.6776 NPC215519
Remote Similarity 0.6766 NPC477974
Remote Similarity 0.6765 NPC477815

Drug Structure

External Identifiers

TTD   DAP000331
DrugBank   DB00967
ChEMBL   CHEMBL1172
IUPHAR/BPS   7157
PharmaGKB   PA164776964
KEGG Drug  
PubChem CID   124087
ChEBI   291342
CAS Number  100643-71-8

Drug Properties

Molecular Weight  310.12
ALogP  1.0597
MLogP  3.22
XLogP  3.641
HDA  2
HBD  1
Rotatable Bonds  1
TPSA  24.92
RO5 Violation  0