Drug Information

Drug ID:  NPD3000
Drug Name:  Cyclizine
Molecular Formula:  C18H22N2
Canonical SMILES:  CN1CCN(CC1)C(c1ccccc1)c1ccccc1
Standard InCHI:  InChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3
Standard InCHIKey:  UVKZSORBKUEBAZ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD3000

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 0.9318 NPC470926
High Similarity 0.8602 NPC329430
Intermediate Similarity 0.8454 NPC239854
Intermediate Similarity 0.8409 NPC104070
Intermediate Similarity 0.8265 NPC291610
Intermediate Similarity 0.8235 NPC271642
Intermediate Similarity 0.8202 NPC119677
Intermediate Similarity 0.8118 NPC98976
Intermediate Similarity 0.8111 NPC169016
Intermediate Similarity 0.7978 NPC231986
Intermediate Similarity 0.7843 NPC473418
Intermediate Similarity 0.7843 NPC474695
Intermediate Similarity 0.7742 NPC258046
Intermediate Similarity 0.764 NPC12857
Intermediate Similarity 0.7551 NPC322040
Intermediate Similarity 0.7528 NPC325662
Intermediate Similarity 0.7528 NPC98269
Intermediate Similarity 0.7368 NPC475915
Intermediate Similarity 0.7333 NPC167336
Intermediate Similarity 0.7282 NPC474582
Intermediate Similarity 0.7222 NPC139658
Intermediate Similarity 0.7191 NPC112609
Intermediate Similarity 0.7191 NPC113000
Intermediate Similarity 0.7191 NPC122327
Intermediate Similarity 0.7168 NPC192209
Intermediate Similarity 0.7158 NPC133162
Intermediate Similarity 0.7143 NPC290638
Intermediate Similarity 0.7129 NPC108339
Intermediate Similarity 0.7113 NPC305602
Intermediate Similarity 0.7113 NPC17497
Intermediate Similarity 0.7105 NPC264580
Intermediate Similarity 0.7069 NPC314192
Intermediate Similarity 0.7064 NPC292758
Intermediate Similarity 0.7064 NPC65855
Intermediate Similarity 0.7059 NPC471320
Intermediate Similarity 0.7059 NPC471319
Intermediate Similarity 0.7045 NPC219246
Intermediate Similarity 0.703 NPC469330
Intermediate Similarity 0.7 NPC299134
Remote Similarity 0.6964 NPC187036
Remote Similarity 0.6964 NPC296163
Remote Similarity 0.6939 NPC473031
Remote Similarity 0.6923 NPC276699
Remote Similarity 0.6916 NPC469974
Remote Similarity 0.6889 NPC244738
Remote Similarity 0.6875 NPC474088
Remote Similarity 0.687 NPC313449
Remote Similarity 0.6854 NPC229235
Remote Similarity 0.6837 NPC203076
Remote Similarity 0.6827 NPC311242
Remote Similarity 0.6824 NPC22786
Remote Similarity 0.6818 NPC302790
Remote Similarity 0.68 NPC470877
Remote Similarity 0.6777 NPC252794
Remote Similarity 0.6768 NPC60408
Remote Similarity 0.6765 NPC473661
Remote Similarity 0.6733 NPC78041
Remote Similarity 0.6733 NPC191444
Remote Similarity 0.6733 NPC209764
Remote Similarity 0.6733 NPC141139
Remote Similarity 0.6733 NPC74936
Remote Similarity 0.6733 NPC471307
Remote Similarity 0.6733 NPC159178
Remote Similarity 0.6733 NPC121872
Remote Similarity 0.6706 NPC210849
Remote Similarity 0.6706 NPC246588
Remote Similarity 0.6696 NPC288232
Remote Similarity 0.6667 NPC320656
Remote Similarity 0.6667 NPC220698
Remote Similarity 0.6638 NPC470544
Remote Similarity 0.6638 NPC313673
Remote Similarity 0.6634 NPC176858
Remote Similarity 0.6613 NPC473417
Remote Similarity 0.6609 NPC246904
Remote Similarity 0.6585 NPC478079
Remote Similarity 0.6581 NPC470545
Remote Similarity 0.6557 NPC79698
Remote Similarity 0.6552 NPC113670
Remote Similarity 0.6545 NPC476198
Remote Similarity 0.6538 NPC471309
Remote Similarity 0.6538 NPC7067
Remote Similarity 0.6525 NPC470546
Remote Similarity 0.6517 NPC267443
Remote Similarity 0.6509 NPC472258
Remote Similarity 0.6486 NPC45033
Remote Similarity 0.648 NPC9856
Remote Similarity 0.6476 NPC303045
Remote Similarity 0.6476 NPC161972
Remote Similarity 0.6471 NPC226143
Remote Similarity 0.6471 NPC36357
Remote Similarity 0.6471 NPC114327
Remote Similarity 0.6452 NPC476950
Remote Similarity 0.6449 NPC322598
Remote Similarity 0.6429 NPC434
Remote Similarity 0.6429 NPC79618
Remote Similarity 0.6415 NPC25565
Remote Similarity 0.641 NPC473573
Remote Similarity 0.641 NPC101139
Remote Similarity 0.6408 NPC172128
Remote Similarity 0.6406 NPC313352
Remote Similarity 0.6374 NPC246822
Remote Similarity 0.6374 NPC139416
Remote Similarity 0.6374 NPC213570
Remote Similarity 0.6373 NPC12429
Remote Similarity 0.6373 NPC30445
Remote Similarity 0.6372 NPC77294
Remote Similarity 0.6372 NPC164802
Remote Similarity 0.6364 NPC71684
Remote Similarity 0.6355 NPC475439
Remote Similarity 0.6355 NPC473501
Remote Similarity 0.6353 NPC300345
Remote Similarity 0.6353 NPC212114
Remote Similarity 0.6353 NPC120441
Remote Similarity 0.6353 NPC65873
Remote Similarity 0.6346 NPC226438
Remote Similarity 0.6344 NPC54269
Remote Similarity 0.6341 NPC307020
Remote Similarity 0.6339 NPC473498
Remote Similarity 0.633 NPC214200
Remote Similarity 0.633 NPC228400
Remote Similarity 0.6322 NPC135924
Remote Similarity 0.6322 NPC150196
Remote Similarity 0.6322 NPC54368
Remote Similarity 0.6322 NPC248705
Remote Similarity 0.6321 NPC256452
Remote Similarity 0.632 NPC145754
Remote Similarity 0.6304 NPC72670
Remote Similarity 0.6299 NPC126458
Remote Similarity 0.6292 NPC198023
Remote Similarity 0.6292 NPC32312
Remote Similarity 0.6292 NPC155172
Remote Similarity 0.6292 NPC291066
Remote Similarity 0.6289 NPC159661
Remote Similarity 0.6286 NPC108800
Remote Similarity 0.6281 NPC27833
Remote Similarity 0.6275 NPC471638
Remote Similarity 0.6263 NPC14326
Remote Similarity 0.625 NPC249018
Remote Similarity 0.625 NPC53044
Remote Similarity 0.625 NPC473962
Remote Similarity 0.625 NPC3190
Remote Similarity 0.625 NPC257390
Remote Similarity 0.625 NPC29680
Remote Similarity 0.625 NPC316108
Remote Similarity 0.625 NPC71009
Remote Similarity 0.625 NPC200745
Remote Similarity 0.6237 NPC39799
Remote Similarity 0.6237 NPC193578
Remote Similarity 0.6237 NPC135433
Remote Similarity 0.6237 NPC87099
Remote Similarity 0.6237 NPC280135
Remote Similarity 0.6237 NPC1008
Remote Similarity 0.6237 NPC226999
Remote Similarity 0.6237 NPC158028
Remote Similarity 0.6235 NPC198841
Remote Similarity 0.6235 NPC269586
Remote Similarity 0.623 NPC257490
Remote Similarity 0.6226 NPC474974
Remote Similarity 0.6224 NPC475289
Remote Similarity 0.6224 NPC315216
Remote Similarity 0.6224 NPC475573
Remote Similarity 0.6222 NPC178527
Remote Similarity 0.6222 NPC20144
Remote Similarity 0.6214 NPC111233
Remote Similarity 0.6212 NPC314102
Remote Similarity 0.6212 NPC251722
Remote Similarity 0.6211 NPC307195
Remote Similarity 0.621 NPC285394
Remote Similarity 0.6207 NPC147062
Remote Similarity 0.6196 NPC473206
Remote Similarity 0.619 NPC245259
Remote Similarity 0.6186 NPC33742
Remote Similarity 0.6182 NPC316797
Remote Similarity 0.618 NPC88566
Remote Similarity 0.618 NPC45756
Remote Similarity 0.618 NPC50266
Remote Similarity 0.6174 NPC24777
Remote Similarity 0.6174 NPC158854
Remote Similarity 0.6167 NPC476566
Remote Similarity 0.6161 NPC275467
Remote Similarity 0.6154 NPC173991
Remote Similarity 0.6148 NPC316582
Remote Similarity 0.6148 NPC302169
Remote Similarity 0.6142 NPC268763
Remote Similarity 0.6142 NPC66177
Remote Similarity 0.6142 NPC8305
Remote Similarity 0.6142 NPC111428
Remote Similarity 0.6142 NPC473322
Remote Similarity 0.6136 NPC238023
Remote Similarity 0.6136 NPC310758
Remote Similarity 0.6129 NPC263385
Remote Similarity 0.6129 NPC329825
Remote Similarity 0.6129 NPC251490
Remote Similarity 0.6119 NPC314682
Remote Similarity 0.6119 NPC88097
Remote Similarity 0.6118 NPC277704
Remote Similarity 0.6118 NPC149436
Remote Similarity 0.6117 NPC262295
Remote Similarity 0.6116 NPC81561
Remote Similarity 0.6116 NPC240136

Drug Structure

External Identifiers

TTD   DAP000337
DrugBank   DB01176
ChEMBL   CHEMBL648
IUPHAR/BPS   7151
PharmaGKB   PA164742937
KEGG Drug   D03621
PubChem CID   6726
ChEBI   3994
CAS Number  82-92-8

Drug Properties

Molecular Weight  266.18
ALogP  0.1247
MLogP  3.22
XLogP  5.559
HDA  2
HBD  0
Rotatable Bonds  4
TPSA  6.48
RO5 Violation  1