Drug Information

Drug ID:  NPD5020
Drug Name:  Acrivastine
Molecular Formula:  C22H24N2O2
Canonical SMILES:  OC(=O)/C=C/c1cccc(n1)/C(=C/CN1CCCC1)/c1ccc(cc1)C
Standard InCHI:  InChI=1S/C22H24N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)/b12-11+,20-13+
Standard InCHIKey:  PWACSDKDOHSSQD-IUTFFREVSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5020

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
Intermediate Similarity 0.7972 NPC256893
Intermediate Similarity 0.7905 NPC238499
Intermediate Similarity 0.7838 NPC104483
Intermediate Similarity 0.7831 NPC470003
Intermediate Similarity 0.7778 NPC37548
Intermediate Similarity 0.7748 NPC242556
Intermediate Similarity 0.7744 NPC28848
Intermediate Similarity 0.7744 NPC14325
Intermediate Similarity 0.7697 NPC470440
Intermediate Similarity 0.7664 NPC476566
Intermediate Similarity 0.7662 NPC187951
Intermediate Similarity 0.7647 NPC478186
Intermediate Similarity 0.7625 NPC478182
Intermediate Similarity 0.7616 NPC277157
Intermediate Similarity 0.7613 NPC24678
Intermediate Similarity 0.7613 NPC105818
Intermediate Similarity 0.7609 NPC81561
Intermediate Similarity 0.758 NPC38736
Intermediate Similarity 0.758 NPC470507
Intermediate Similarity 0.7568 NPC198988
Intermediate Similarity 0.7558 NPC129909
Intermediate Similarity 0.755 NPC59084
Intermediate Similarity 0.755 NPC2949
Intermediate Similarity 0.7548 NPC124005
Intermediate Similarity 0.7536 NPC148140
Intermediate Similarity 0.7516 NPC281094
Intermediate Similarity 0.75 NPC63157
Intermediate Similarity 0.75 NPC473868
Intermediate Similarity 0.75 NPC158129
Intermediate Similarity 0.7484 NPC299594
Intermediate Similarity 0.7484 NPC129721
Intermediate Similarity 0.7471 NPC280290
Intermediate Similarity 0.7468 NPC159856
Intermediate Similarity 0.7451 NPC20144
Intermediate Similarity 0.744 NPC24864
Intermediate Similarity 0.7438 NPC293487
Intermediate Similarity 0.7427 NPC311858
Intermediate Similarity 0.7423 NPC470509
Intermediate Similarity 0.7419 NPC129042
Intermediate Similarity 0.7407 NPC472587
Intermediate Similarity 0.7407 NPC8104
Intermediate Similarity 0.74 NPC325252
Intermediate Similarity 0.7396 NPC113626
Intermediate Similarity 0.7394 NPC48564
Intermediate Similarity 0.7394 NPC182570
Intermediate Similarity 0.7394 NPC265605
Intermediate Similarity 0.7372 NPC477974
Intermediate Similarity 0.7368 NPC88097
Intermediate Similarity 0.7358 NPC471458
Intermediate Similarity 0.7355 NPC314372
Intermediate Similarity 0.7353 NPC159125
Intermediate Similarity 0.7351 NPC150259
Intermediate Similarity 0.7351 NPC251722
Intermediate Similarity 0.7351 NPC314102
Intermediate Similarity 0.7349 NPC471294
Intermediate Similarity 0.7346 NPC194881
Intermediate Similarity 0.7341 NPC61435
Intermediate Similarity 0.7341 NPC183805
Intermediate Similarity 0.7338 NPC190296
Intermediate Similarity 0.7329 NPC92796
Intermediate Similarity 0.7329 NPC135141
Intermediate Similarity 0.7329 NPC278451
Intermediate Similarity 0.7324 NPC215519
Intermediate Similarity 0.7321 NPC234987
Intermediate Similarity 0.7317 NPC41717
Intermediate Similarity 0.7317 NPC478183
Intermediate Similarity 0.7312 NPC184476
Intermediate Similarity 0.7305 NPC54102
Intermediate Similarity 0.7305 NPC469938
Intermediate Similarity 0.7305 NPC162689
Intermediate Similarity 0.7301 NPC271797
Intermediate Similarity 0.7301 NPC271734
Intermediate Similarity 0.7301 NPC21174
Intermediate Similarity 0.7297 NPC22079
Intermediate Similarity 0.7292 NPC290094
Intermediate Similarity 0.7289 NPC6982
Intermediate Similarity 0.7284 NPC322644
Intermediate Similarity 0.7278 NPC33421
Intermediate Similarity 0.7263 NPC192674
Intermediate Similarity 0.7262 NPC134586
Intermediate Similarity 0.7261 NPC470111
Intermediate Similarity 0.7261 NPC21605
Intermediate Similarity 0.726 NPC476950
Intermediate Similarity 0.7255 NPC316811
Intermediate Similarity 0.7255 NPC32002
Intermediate Similarity 0.7255 NPC315348
Intermediate Similarity 0.7241 NPC196251
Intermediate Similarity 0.7241 NPC122718
Intermediate Similarity 0.7241 NPC63199
Intermediate Similarity 0.7241 NPC102338
Intermediate Similarity 0.7241 NPC111602
Intermediate Similarity 0.7239 NPC478185
Intermediate Similarity 0.7237 NPC65408
Intermediate Similarity 0.7234 NPC471402
Intermediate Similarity 0.7234 NPC240136
Intermediate Similarity 0.7234 NPC297486
Intermediate Similarity 0.7229 NPC32534
Intermediate Similarity 0.7222 NPC6436
Intermediate Similarity 0.7219 NPC326575
Intermediate Similarity 0.7219 NPC211997
Intermediate Similarity 0.7211 NPC471311
Intermediate Similarity 0.7211 NPC471313
Intermediate Similarity 0.7207 NPC474916
Intermediate Similarity 0.7205 NPC285469
Intermediate Similarity 0.7195 NPC476118
Intermediate Similarity 0.7195 NPC478184
Intermediate Similarity 0.7191 NPC245916
Intermediate Similarity 0.7188 NPC469763
Intermediate Similarity 0.7188 NPC469786
Intermediate Similarity 0.7188 NPC259644
Intermediate Similarity 0.7188 NPC469765
Intermediate Similarity 0.7188 NPC25008
Intermediate Similarity 0.7188 NPC469760
Intermediate Similarity 0.7188 NPC73952
Intermediate Similarity 0.7184 NPC472323
Intermediate Similarity 0.7183 NPC91958
Intermediate Similarity 0.7178 NPC81229
Intermediate Similarity 0.7178 NPC473320
Intermediate Similarity 0.7178 NPC255229
Intermediate Similarity 0.7176 NPC219336
Intermediate Similarity 0.7176 NPC248462
Intermediate Similarity 0.7172 NPC46358
Intermediate Similarity 0.7171 NPC29702
Intermediate Similarity 0.7171 NPC328029
Intermediate Similarity 0.717 NPC40070
Intermediate Similarity 0.7151 NPC472104
Intermediate Similarity 0.7151 NPC243058
Intermediate Similarity 0.7151 NPC143533
Intermediate Similarity 0.7143 NPC161861
Intermediate Similarity 0.7143 NPC212376
Intermediate Similarity 0.7143 NPC211572
Intermediate Similarity 0.7143 NPC175474
Intermediate Similarity 0.7143 NPC70922
Intermediate Similarity 0.7143 NPC169625
Intermediate Similarity 0.7143 NPC80597
Intermediate Similarity 0.7143 NPC75540
Intermediate Similarity 0.7143 NPC202957
Intermediate Similarity 0.7143 NPC73767
Intermediate Similarity 0.7135 NPC15840
Intermediate Similarity 0.7135 NPC19692
Intermediate Similarity 0.7135 NPC73994
Intermediate Similarity 0.7135 NPC220151
Intermediate Similarity 0.7133 NPC475450
Intermediate Similarity 0.7126 NPC65080
Intermediate Similarity 0.7126 NPC91895
Intermediate Similarity 0.7125 NPC470233
Intermediate Similarity 0.7124 NPC114310
Intermediate Similarity 0.7123 NPC476322
Intermediate Similarity 0.7118 NPC15573
Intermediate Similarity 0.7118 NPC217372
Intermediate Similarity 0.7118 NPC183662
Intermediate Similarity 0.7117 NPC80681
Intermediate Similarity 0.711 NPC472119
Intermediate Similarity 0.711 NPC207851
Intermediate Similarity 0.7103 NPC41174
Intermediate Similarity 0.7102 NPC206967
Intermediate Similarity 0.7099 NPC141353
Intermediate Similarity 0.7099 NPC51054
Intermediate Similarity 0.7097 NPC469779
Intermediate Similarity 0.7097 NPC469761
Intermediate Similarity 0.7097 NPC469768
Intermediate Similarity 0.7097 NPC469783
Intermediate Similarity 0.7097 NPC115611
Intermediate Similarity 0.7097 NPC469780
Intermediate Similarity 0.7097 NPC469784
Intermediate Similarity 0.7097 NPC469767
Intermediate Similarity 0.7081 NPC200743
Intermediate Similarity 0.7079 NPC45850
Intermediate Similarity 0.7076 NPC233050
Intermediate Similarity 0.7076 NPC276540
Intermediate Similarity 0.7076 NPC215795
Intermediate Similarity 0.7076 NPC213468
Intermediate Similarity 0.7076 NPC176199
Intermediate Similarity 0.7076 NPC12649
Intermediate Similarity 0.7069 NPC133003
Intermediate Similarity 0.7066 NPC317430
Intermediate Similarity 0.7059 NPC472122
Intermediate Similarity 0.7059 NPC84347
Intermediate Similarity 0.7059 NPC24594
Intermediate Similarity 0.7059 NPC218268
Intermediate Similarity 0.7055 NPC469762
Intermediate Similarity 0.7052 NPC470205
Intermediate Similarity 0.7051 NPC469766
Intermediate Similarity 0.7049 NPC57398
Intermediate Similarity 0.7048 NPC477975
Intermediate Similarity 0.7047 NPC89490
Intermediate Similarity 0.7044 NPC471957
Intermediate Similarity 0.7041 NPC477976
Intermediate Similarity 0.7041 NPC472123
Intermediate Similarity 0.7041 NPC34508
Intermediate Similarity 0.7037 NPC476219
Intermediate Similarity 0.7037 NPC207726
Intermediate Similarity 0.7037 NPC476297
Intermediate Similarity 0.7035 NPC469896
Intermediate Similarity 0.7032 NPC110126
Intermediate Similarity 0.703 NPC242116
Intermediate Similarity 0.703 NPC16667
Intermediate Similarity 0.7029 NPC90415
Intermediate Similarity 0.7027 NPC250361
Intermediate Similarity 0.7025 NPC204141

Drug Structure

External Identifiers

TTD   DAP001343
DrugBank   DB09488
ChEMBL   CHEMBL1224
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D02760
PubChem CID   5284514
ChEBI   83168
CAS Number  87848-99-5

Drug Properties

Molecular Weight  348.18
ALogP  0.5075
MLogP  3.44
XLogP  6.174
HDA  4
HBD  1
Rotatable Bonds  8
TPSA  53.43
RO5 Violation  1