Drug Information

Drug ID:  NPD3432
Drug Name:  Alcaftadine
Molecular Formula:  C19H21N3O
Canonical SMILES:  O=Cc1cnc2n1CCc1c(C2=C2CCN(CC2)C)cccc1
Standard InCHI:  InChI=1S/C19H21N3O/c1-21-9-6-15(7-10-21)18-17-5-3-2-4-14(17)8-11-22-16(13-23)12-20-19(18)22/h2-5,12-13H,6-11H2,1H3
Standard InCHIKey:  MWTBKTRZPHJQLH-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD3432

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 0.7403 NPC317054
Intermediate Similarity 0.715 NPC116555
Intermediate Similarity 0.7029 NPC282531
Remote Similarity 0.6984 NPC102755
Remote Similarity 0.6957 NPC267811
Remote Similarity 0.6949 NPC469975
Remote Similarity 0.6923 NPC478182
Remote Similarity 0.6911 NPC476341
Remote Similarity 0.6878 NPC73994
Remote Similarity 0.6789 NPC16659
Remote Similarity 0.6772 NPC83774
Remote Similarity 0.6758 NPC293487
Remote Similarity 0.6754 NPC191415
Remote Similarity 0.6737 NPC265710
Remote Similarity 0.6702 NPC61011
Remote Similarity 0.6685 NPC476297
Remote Similarity 0.6667 NPC300238
Remote Similarity 0.6667 NPC478183
Remote Similarity 0.6667 NPC114637
Remote Similarity 0.6649 NPC478184
Remote Similarity 0.6635 NPC54981
Remote Similarity 0.6612 NPC124276
Remote Similarity 0.6601 NPC54537
Remote Similarity 0.6598 NPC46895
Remote Similarity 0.6597 NPC240088
Remote Similarity 0.6597 NPC473380
Remote Similarity 0.6595 NPC242116
Remote Similarity 0.6595 NPC470203
Remote Similarity 0.6595 NPC478185
Remote Similarity 0.6584 NPC81535
Remote Similarity 0.6576 NPC80681
Remote Similarity 0.6575 NPC470323
Remote Similarity 0.6555 NPC242923
Remote Similarity 0.6545 NPC267078
Remote Similarity 0.6545 NPC935
Remote Similarity 0.6543 NPC70949
Remote Similarity 0.6541 NPC470204
Remote Similarity 0.6528 NPC24864
Remote Similarity 0.652 NPC469308
Remote Similarity 0.6516 NPC474357
Remote Similarity 0.651 NPC234987
Remote Similarity 0.6508 NPC91895
Remote Similarity 0.6508 NPC32534
Remote Similarity 0.65 NPC470111
Remote Similarity 0.65 NPC114209
Remote Similarity 0.65 NPC326422
Remote Similarity 0.6492 NPC293216
Remote Similarity 0.649 NPC71238
Remote Similarity 0.6489 NPC56233
Remote Similarity 0.6484 NPC472260
Remote Similarity 0.6484 NPC217021
Remote Similarity 0.6484 NPC470679
Remote Similarity 0.6477 NPC12649
Remote Similarity 0.6471 NPC265100
Remote Similarity 0.6429 NPC40070
Remote Similarity 0.6429 NPC473878
Remote Similarity 0.6413 NPC476219
Remote Similarity 0.641 NPC113626
Remote Similarity 0.6406 NPC469529
Remote Similarity 0.6402 NPC238945
Remote Similarity 0.64 NPC226184
Remote Similarity 0.64 NPC76544
Remote Similarity 0.64 NPC167285
Remote Similarity 0.6389 NPC467188
Remote Similarity 0.6377 NPC317701
Remote Similarity 0.6364 NPC472288
Remote Similarity 0.6359 NPC251391
Remote Similarity 0.6349 NPC42372
Remote Similarity 0.6343 NPC308906
Remote Similarity 0.6341 NPC237414
Remote Similarity 0.633 NPC225018
Remote Similarity 0.6327 NPC470677
Remote Similarity 0.6324 NPC209362
Remote Similarity 0.6319 NPC201380
Remote Similarity 0.6319 NPC179787
Remote Similarity 0.6319 NPC100726
Remote Similarity 0.6304 NPC70406
Remote Similarity 0.63 NPC472289
Remote Similarity 0.6294 NPC471609
Remote Similarity 0.6294 NPC159125
Remote Similarity 0.6293 NPC474916
Remote Similarity 0.6284 NPC321911
Remote Similarity 0.6281 NPC141612
Remote Similarity 0.6281 NPC17273
Remote Similarity 0.6281 NPC135601
Remote Similarity 0.6277 NPC122141
Remote Similarity 0.6271 NPC150259
Remote Similarity 0.627 NPC281094
Remote Similarity 0.6268 NPC472259
Remote Similarity 0.6264 NPC63545
Remote Similarity 0.6264 NPC256893
Remote Similarity 0.6264 NPC478186
Remote Similarity 0.6263 NPC21429
Remote Similarity 0.6257 NPC129721
Remote Similarity 0.6256 NPC284775
Remote Similarity 0.625 NPC313889
Remote Similarity 0.6243 NPC71236
Remote Similarity 0.6237 NPC120070
Remote Similarity 0.6233 NPC116622
Remote Similarity 0.6232 NPC121327
Remote Similarity 0.623 NPC105811
Remote Similarity 0.623 NPC469811
Remote Similarity 0.6223 NPC477591
Remote Similarity 0.6215 NPC471603
Remote Similarity 0.6204 NPC177996
Remote Similarity 0.6204 NPC147983
Remote Similarity 0.6203 NPC51054
Remote Similarity 0.6201 NPC104483
Remote Similarity 0.6196 NPC123906
Remote Similarity 0.6195 NPC128244
Remote Similarity 0.6193 NPC88110
Remote Similarity 0.619 NPC100104
Remote Similarity 0.619 NPC470680
Remote Similarity 0.6188 NPC324091
Remote Similarity 0.6186 NPC282247
Remote Similarity 0.6185 NPC313823
Remote Similarity 0.6185 NPC471589
Remote Similarity 0.6183 NPC325903
Remote Similarity 0.6181 NPC285923
Remote Similarity 0.6181 NPC108011
Remote Similarity 0.618 NPC314102
Remote Similarity 0.618 NPC251722
Remote Similarity 0.618 NPC65408
Remote Similarity 0.6178 NPC233380
Remote Similarity 0.6176 NPC474180
Remote Similarity 0.6176 NPC188821
Remote Similarity 0.6172 NPC57398
Remote Similarity 0.6172 NPC143977
Remote Similarity 0.617 NPC236711
Remote Similarity 0.6166 NPC116961
Remote Similarity 0.6162 NPC307191
Remote Similarity 0.6154 NPC265605
Remote Similarity 0.6154 NPC48564
Remote Similarity 0.6154 NPC182570
Remote Similarity 0.6154 NPC469938
Remote Similarity 0.615 NPC133003
Remote Similarity 0.6146 NPC280638
Remote Similarity 0.6146 NPC49217
Remote Similarity 0.6141 NPC477974
Remote Similarity 0.6136 NPC17305
Remote Similarity 0.6129 NPC470732
Remote Similarity 0.6124 NPC216159
Remote Similarity 0.6122 NPC151635
Remote Similarity 0.6121 NPC123839
Remote Similarity 0.6117 NPC102592
Remote Similarity 0.6117 NPC79356
Remote Similarity 0.6111 NPC316811
Remote Similarity 0.6111 NPC32002
Remote Similarity 0.6111 NPC315348
Remote Similarity 0.6103 NPC266249
Remote Similarity 0.6101 NPC12100
Remote Similarity 0.61 NPC477003
Remote Similarity 0.6099 NPC20144
Remote Similarity 0.6096 NPC472833
Remote Similarity 0.6091 NPC237188
Remote Similarity 0.6089 NPC144474
Remote Similarity 0.6089 NPC133782
Remote Similarity 0.6089 NPC69843
Remote Similarity 0.6089 NPC527
Remote Similarity 0.6085 NPC472832
Remote Similarity 0.6085 NPC238457
Remote Similarity 0.6085 NPC18308
Remote Similarity 0.6085 NPC213914
Remote Similarity 0.6082 NPC65080
Remote Similarity 0.608 NPC471322
Remote Similarity 0.6071 NPC143603
Remote Similarity 0.607 NPC101676
Remote Similarity 0.6067 NPC296437
Remote Similarity 0.6065 NPC471194
Remote Similarity 0.6065 NPC153980
Remote Similarity 0.6065 NPC471193
Remote Similarity 0.6065 NPC6865
Remote Similarity 0.6061 NPC248462
Remote Similarity 0.6055 NPC471192
Remote Similarity 0.6053 NPC474492
Remote Similarity 0.6053 NPC56765
Remote Similarity 0.6053 NPC158055
Remote Similarity 0.6047 NPC476322
Remote Similarity 0.6043 NPC470233
Remote Similarity 0.604 NPC476527
Remote Similarity 0.6033 NPC204141
Remote Similarity 0.6033 NPC314372
Remote Similarity 0.6033 NPC470440
Remote Similarity 0.603 NPC314281
Remote Similarity 0.603 NPC40530
Remote Similarity 0.6023 NPC282398
Remote Similarity 0.6022 NPC73767
Remote Similarity 0.6021 NPC81229
Remote Similarity 0.6021 NPC255229
Remote Similarity 0.6019 NPC72956
Remote Similarity 0.6019 NPC198673
Remote Similarity 0.6012 NPC240136
Remote Similarity 0.6012 NPC471402
Remote Similarity 0.6012 NPC297486
Remote Similarity 0.6011 NPC190296
Remote Similarity 0.601 NPC167710
Remote Similarity 0.601 NPC477119
Remote Similarity 0.601 NPC157583
Remote Similarity 0.6009 NPC40455
Remote Similarity 0.6 NPC63109

Drug Structure

External Identifiers

TTD   DAP001553
DrugBank   DB06766
ChEMBL   CHEMBL1201747
IUPHAR/BPS   7587
PharmaGKB   PA165958399
KEGG Drug   D06552
PubChem CID   19371515
ChEBI   71023
CAS Number  147084-10-4

Drug Properties

Molecular Weight  307.17
ALogP  0.8145
MLogP  3.11
XLogP  2.851
HDA  4
HBD  0
Rotatable Bonds  2
TPSA  38.13
RO5 Violation  0