Drug Information

Drug ID:  NPD2657
Drug Name:  Tiprolisant
Molecular Formula:  C17H26ClNO
Canonical SMILES:  Clc1ccc(cc1)CCCOCCCN1CCCCC1
Standard InCHI:  InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
Standard InCHIKey:  NNACHAUCXXVJSP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2657

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 0.757 NPC471310
Intermediate Similarity 0.7018 NPC65855
Intermediate Similarity 0.7018 NPC292758
Intermediate Similarity 0.7018 NPC158854
Remote Similarity 0.6893 NPC305602
Remote Similarity 0.6893 NPC17497
Remote Similarity 0.6864 NPC471318
Remote Similarity 0.6783 NPC77294
Remote Similarity 0.6759 NPC58674
Remote Similarity 0.6757 NPC316797
Remote Similarity 0.6742 NPC316906
Remote Similarity 0.6724 NPC24777
Remote Similarity 0.6667 NPC12429
Remote Similarity 0.6667 NPC104070
Remote Similarity 0.6667 NPC474559
Remote Similarity 0.6667 NPC313981
Remote Similarity 0.6641 NPC313352
Remote Similarity 0.6634 NPC231986
Remote Similarity 0.6607 NPC214200
Remote Similarity 0.6607 NPC228400
Remote Similarity 0.6604 NPC470877
Remote Similarity 0.656 NPC291027
Remote Similarity 0.656 NPC213126
Remote Similarity 0.656 NPC317474
Remote Similarity 0.656 NPC84281
Remote Similarity 0.656 NPC169485
Remote Similarity 0.6542 NPC74936
Remote Similarity 0.6542 NPC121872
Remote Similarity 0.6542 NPC172128
Remote Similarity 0.6542 NPC209764
Remote Similarity 0.6542 NPC141139
Remote Similarity 0.6542 NPC159178
Remote Similarity 0.6542 NPC78041
Remote Similarity 0.6542 NPC471307
Remote Similarity 0.6514 NPC474974
Remote Similarity 0.6481 NPC470926
Remote Similarity 0.6465 NPC271642
Remote Similarity 0.6429 NPC322598
Remote Similarity 0.6406 NPC474847
Remote Similarity 0.6392 NPC208302
Remote Similarity 0.6381 NPC475710
Remote Similarity 0.6373 NPC309279
Remote Similarity 0.6373 NPC184030
Remote Similarity 0.6373 NPC164449
Remote Similarity 0.6364 NPC98976
Remote Similarity 0.6364 NPC471309
Remote Similarity 0.6357 NPC65310
Remote Similarity 0.6346 NPC474088
Remote Similarity 0.6339 NPC311242
Remote Similarity 0.633 NPC245259
Remote Similarity 0.633 NPC226438
Remote Similarity 0.6328 NPC255253
Remote Similarity 0.6321 NPC203076
Remote Similarity 0.6321 NPC258046
Remote Similarity 0.6311 NPC113099
Remote Similarity 0.6306 NPC161972
Remote Similarity 0.6306 NPC303045
Remote Similarity 0.63 NPC139658
Remote Similarity 0.6299 NPC26285
Remote Similarity 0.6293 NPC194390
Remote Similarity 0.6293 NPC113326
Remote Similarity 0.6293 NPC88267
Remote Similarity 0.6293 NPC224610
Remote Similarity 0.6286 NPC169016
Remote Similarity 0.6275 NPC170484
Remote Similarity 0.6273 NPC473661
Remote Similarity 0.6263 NPC108218
Remote Similarity 0.6262 NPC471638
Remote Similarity 0.6261 NPC327226
Remote Similarity 0.625 NPC323103
Remote Similarity 0.625 NPC475199
Remote Similarity 0.625 NPC283012
Remote Similarity 0.625 NPC121478
Remote Similarity 0.625 NPC25565
Remote Similarity 0.625 NPC103387
Remote Similarity 0.625 NPC73637
Remote Similarity 0.6239 NPC211551
Remote Similarity 0.6239 NPC473418
Remote Similarity 0.6239 NPC316108
Remote Similarity 0.6239 NPC167336
Remote Similarity 0.6214 NPC121800
Remote Similarity 0.6212 NPC69496
Remote Similarity 0.6202 NPC285394
Remote Similarity 0.6195 NPC475439
Remote Similarity 0.6195 NPC472258
Remote Similarity 0.6195 NPC473501
Remote Similarity 0.619 NPC270507
Remote Similarity 0.6174 NPC469457
Remote Similarity 0.6162 NPC244738
Remote Similarity 0.6161 NPC215351
Remote Similarity 0.6161 NPC256452
Remote Similarity 0.6161 NPC20142
Remote Similarity 0.6161 NPC329430
Remote Similarity 0.6154 NPC226778
Remote Similarity 0.6154 NPC165212
Remote Similarity 0.6154 NPC147000
Remote Similarity 0.6154 NPC304761
Remote Similarity 0.6154 NPC150254
Remote Similarity 0.6147 NPC9822
Remote Similarity 0.6122 NPC229235
Remote Similarity 0.6111 NPC320656
Remote Similarity 0.6111 NPC473031
Remote Similarity 0.6095 NPC14326
Remote Similarity 0.6094 NPC316896
Remote Similarity 0.6091 NPC213156
Remote Similarity 0.6091 NPC240108
Remote Similarity 0.6077 NPC307020
Remote Similarity 0.6075 NPC99482
Remote Similarity 0.6074 NPC245836
Remote Similarity 0.6074 NPC233910
Remote Similarity 0.6071 NPC322040
Remote Similarity 0.6066 NPC269340
Remote Similarity 0.6058 NPC192623
Remote Similarity 0.6055 NPC325441
Remote Similarity 0.6053 NPC33168
Remote Similarity 0.6053 NPC325499
Remote Similarity 0.6048 NPC33742
Remote Similarity 0.6043 NPC469426
Remote Similarity 0.6043 NPC469427
Remote Similarity 0.6038 NPC477770
Remote Similarity 0.6034 NPC155847
Remote Similarity 0.6034 NPC289381
Remote Similarity 0.6019 NPC12857
Remote Similarity 0.6019 NPC224544
Remote Similarity 0.6016 NPC326232
Remote Similarity 0.6016 NPC321133
Remote Similarity 0.6015 NPC17374
Remote Similarity 0.6 NPC303611
Remote Similarity 0.6 NPC108606
Remote Similarity 0.6 NPC231591
Remote Similarity 0.6 NPC226096
Remote Similarity 0.6 NPC101139
Remote Similarity 0.6 NPC164514
Remote Similarity 0.6 NPC290515
Remote Similarity 0.5985 NPC136453
Remote Similarity 0.5984 NPC228515
Remote Similarity 0.5983 NPC239854
Remote Similarity 0.5982 NPC265521
Remote Similarity 0.5981 NPC133162
Remote Similarity 0.5969 NPC314192
Remote Similarity 0.5968 NPC35850
Remote Similarity 0.5968 NPC276949
Remote Similarity 0.5966 NPC476198
Remote Similarity 0.5954 NPC328267
Remote Similarity 0.5952 NPC470544
Remote Similarity 0.5946 NPC258627
Remote Similarity 0.5941 NPC113000
Remote Similarity 0.5941 NPC122327
Remote Similarity 0.5941 NPC112609
Remote Similarity 0.594 NPC105114
Remote Similarity 0.594 NPC239990
Remote Similarity 0.594 NPC89923
Remote Similarity 0.594 NPC152850
Remote Similarity 0.594 NPC71933
Remote Similarity 0.5932 NPC471317
Remote Similarity 0.5926 NPC294134
Remote Similarity 0.5926 NPC3210
Remote Similarity 0.5917 NPC45033
Remote Similarity 0.5906 NPC470545
Remote Similarity 0.5905 NPC475289
Remote Similarity 0.5905 NPC475573
Remote Similarity 0.5899 NPC281104
Remote Similarity 0.5896 NPC103605
Remote Similarity 0.5896 NPC81092
Remote Similarity 0.5895 NPC22786
Remote Similarity 0.5891 NPC476990
Remote Similarity 0.5882 NPC276699
Remote Similarity 0.5882 NPC189371
Remote Similarity 0.5859 NPC470546
Remote Similarity 0.5857 NPC471312
Remote Similarity 0.5849 NPC117180
Remote Similarity 0.5847 NPC291610
Remote Similarity 0.5846 NPC202521
Remote Similarity 0.5833 NPC67043
Remote Similarity 0.5833 NPC95429
Remote Similarity 0.5833 NPC304538
Remote Similarity 0.5826 NPC471319
Remote Similarity 0.5826 NPC471320
Remote Similarity 0.5818 NPC211237
Remote Similarity 0.5818 NPC198747
Remote Similarity 0.5818 NPC96625
Remote Similarity 0.5812 NPC12730
Remote Similarity 0.5809 NPC157311
Remote Similarity 0.5802 NPC252878
Remote Similarity 0.58 NPC219246
Remote Similarity 0.5798 NPC202613
Remote Similarity 0.5794 NPC99394
Remote Similarity 0.5794 NPC106313
Remote Similarity 0.5794 NPC103326
Remote Similarity 0.5794 NPC87299
Remote Similarity 0.5794 NPC329319
Remote Similarity 0.5794 NPC472164
Remote Similarity 0.5789 NPC477249
Remote Similarity 0.5789 NPC71140
Remote Similarity 0.5789 NPC23453
Remote Similarity 0.5789 NPC477248
Remote Similarity 0.5789 NPC200624
Remote Similarity 0.5789 NPC210849
Remote Similarity 0.5785 NPC471447
Remote Similarity 0.5784 NPC299134

Drug Structure

External Identifiers

TTD   DNCL003130
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   9948102
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  295.17
ALogP  -0.7162
MLogP  3
XLogP  4.393
HDA  2
HBD  0
Rotatable Bonds  9
TPSA  12.47
RO5 Violation  0