Drug Information

Drug ID:  NPD5185
Drug Name:  Anileridine
Molecular Formula:  C22H28N2O2
Canonical SMILES:  CCOC(=O)C1(CCN(CC1)CCc1ccc(cc1)N)c1ccccc1
Standard InCHI:  InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3
Standard InCHIKey:  LKYQLAWMNBFNJT-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD5185

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 0.808 NPC158854
Intermediate Similarity 0.7639 NPC319645
Intermediate Similarity 0.75 NPC176983
Intermediate Similarity 0.7468 NPC29285
Intermediate Similarity 0.7448 NPC287358
Intermediate Similarity 0.7419 NPC61013
Intermediate Similarity 0.7403 NPC473297
Intermediate Similarity 0.7403 NPC161827
Intermediate Similarity 0.7389 NPC282339
Intermediate Similarity 0.7389 NPC99632
Intermediate Similarity 0.7372 NPC193410
Intermediate Similarity 0.7355 NPC63370
Intermediate Similarity 0.7355 NPC36836
Intermediate Similarity 0.7325 NPC201424
Intermediate Similarity 0.7325 NPC248117
Intermediate Similarity 0.7308 NPC153694
Intermediate Similarity 0.7308 NPC211525
Intermediate Similarity 0.7286 NPC474926
Intermediate Similarity 0.7278 NPC286871
Intermediate Similarity 0.7261 NPC97380
Intermediate Similarity 0.7261 NPC310403
Intermediate Similarity 0.7261 NPC148468
Intermediate Similarity 0.7261 NPC263709
Intermediate Similarity 0.7261 NPC243673
Intermediate Similarity 0.7261 NPC63210
Intermediate Similarity 0.725 NPC278887
Intermediate Similarity 0.7219 NPC181928
Intermediate Similarity 0.7197 NPC123241
Intermediate Similarity 0.717 NPC472121
Intermediate Similarity 0.7152 NPC36495
Intermediate Similarity 0.7135 NPC473298
Intermediate Similarity 0.7115 NPC478076
Intermediate Similarity 0.7107 NPC225319
Intermediate Similarity 0.7101 NPC226143
Intermediate Similarity 0.7099 NPC167724
Intermediate Similarity 0.7099 NPC223595
Intermediate Similarity 0.7099 NPC224970
Intermediate Similarity 0.7089 NPC113946
Intermediate Similarity 0.7081 NPC470069
Intermediate Similarity 0.7081 NPC52059
Intermediate Similarity 0.7073 NPC177261
Intermediate Similarity 0.7073 NPC476425
Intermediate Similarity 0.7071 NPC213126
Intermediate Similarity 0.7071 NPC84281
Intermediate Similarity 0.7071 NPC291027
Intermediate Similarity 0.7071 NPC169485
Intermediate Similarity 0.7071 NPC317474
Intermediate Similarity 0.7063 NPC293458
Intermediate Similarity 0.7037 NPC214960
Intermediate Similarity 0.7037 NPC279527
Intermediate Similarity 0.7032 NPC473329
Intermediate Similarity 0.7 NPC309531
Intermediate Similarity 0.7 NPC472102
Remote Similarity 0.6988 NPC203202
Remote Similarity 0.6988 NPC264482
Remote Similarity 0.6982 NPC470317
Remote Similarity 0.6982 NPC159963
Remote Similarity 0.6971 NPC34717
Remote Similarity 0.697 NPC21752
Remote Similarity 0.697 NPC276993
Remote Similarity 0.697 NPC181138
Remote Similarity 0.697 NPC298851
Remote Similarity 0.697 NPC210415
Remote Similarity 0.697 NPC293255
Remote Similarity 0.697 NPC285622
Remote Similarity 0.6947 NPC476198
Remote Similarity 0.6946 NPC186669
Remote Similarity 0.6939 NPC313663
Remote Similarity 0.6936 NPC329858
Remote Similarity 0.6905 NPC218594
Remote Similarity 0.6905 NPC6974
Remote Similarity 0.6905 NPC99043
Remote Similarity 0.6901 NPC473007
Remote Similarity 0.6897 NPC122235
Remote Similarity 0.6894 NPC143457
Remote Similarity 0.6893 NPC90967
Remote Similarity 0.6887 NPC315051
Remote Similarity 0.6887 NPC472243
Remote Similarity 0.6886 NPC476441
Remote Similarity 0.6882 NPC477159
Remote Similarity 0.6871 NPC472106
Remote Similarity 0.6853 NPC226794
Remote Similarity 0.6852 NPC472120
Remote Similarity 0.6852 NPC472101
Remote Similarity 0.6846 NPC173295
Remote Similarity 0.6842 NPC471742
Remote Similarity 0.6826 NPC13367
Remote Similarity 0.6824 NPC475962
Remote Similarity 0.6821 NPC14994
Remote Similarity 0.6818 NPC472103
Remote Similarity 0.6806 NPC470343
Remote Similarity 0.6806 NPC472244
Remote Similarity 0.6803 NPC314098
Remote Similarity 0.6802 NPC52262
Remote Similarity 0.68 NPC25401
Remote Similarity 0.6797 NPC472241
Remote Similarity 0.6796 NPC162730
Remote Similarity 0.679 NPC474058
Remote Similarity 0.6786 NPC229353
Remote Similarity 0.6766 NPC96901
Remote Similarity 0.6761 NPC55493
Remote Similarity 0.6759 NPC322433
Remote Similarity 0.6748 NPC472117
Remote Similarity 0.6746 NPC476326
Remote Similarity 0.6743 NPC314333
Remote Similarity 0.6743 NPC473008
Remote Similarity 0.6743 NPC313293
Remote Similarity 0.6735 NPC69496
Remote Similarity 0.6731 NPC472100
Remote Similarity 0.6731 NPC264589
Remote Similarity 0.6728 NPC469461
Remote Similarity 0.6727 NPC472114
Remote Similarity 0.6727 NPC472115
Remote Similarity 0.6726 NPC469726
Remote Similarity 0.6726 NPC329338
Remote Similarity 0.6724 NPC21425
Remote Similarity 0.6718 NPC291610
Remote Similarity 0.6713 NPC268534
Remote Similarity 0.671 NPC190945
Remote Similarity 0.6707 NPC189116
Remote Similarity 0.6703 NPC474116
Remote Similarity 0.669 NPC474847
Remote Similarity 0.669 NPC150323
Remote Similarity 0.6689 NPC471123
Remote Similarity 0.6687 NPC469462
Remote Similarity 0.6667 NPC243162
Remote Similarity 0.6667 NPC472242
Remote Similarity 0.6667 NPC253476
Remote Similarity 0.6667 NPC57051
Remote Similarity 0.6667 NPC116519
Remote Similarity 0.6647 NPC472118
Remote Similarity 0.6647 NPC97584
Remote Similarity 0.6646 NPC469741
Remote Similarity 0.6644 NPC136453
Remote Similarity 0.6644 NPC65310
Remote Similarity 0.6643 NPC257490
Remote Similarity 0.664 NPC9822
Remote Similarity 0.6627 NPC182131
Remote Similarity 0.6626 NPC471122
Remote Similarity 0.6624 NPC478039
Remote Similarity 0.6622 NPC314431
Remote Similarity 0.6622 NPC472245
Remote Similarity 0.6621 NPC317758
Remote Similarity 0.6621 NPC285394
Remote Similarity 0.6621 NPC192533
Remote Similarity 0.6615 NPC322598
Remote Similarity 0.6608 NPC321211
Remote Similarity 0.6601 NPC469560
Remote Similarity 0.66 NPC245836
Remote Similarity 0.66 NPC233910
Remote Similarity 0.6599 NPC89923
Remote Similarity 0.6599 NPC105114
Remote Similarity 0.6599 NPC71933
Remote Similarity 0.6599 NPC307437
Remote Similarity 0.6599 NPC58827
Remote Similarity 0.6599 NPC239990
Remote Similarity 0.6599 NPC152850
Remote Similarity 0.6599 NPC72473
Remote Similarity 0.6599 NPC478079
Remote Similarity 0.6597 NPC26285
Remote Similarity 0.6587 NPC191444
Remote Similarity 0.6581 NPC475128
Remote Similarity 0.6579 NPC478140
Remote Similarity 0.6575 NPC205946
Remote Similarity 0.6569 NPC319579
Remote Similarity 0.6568 NPC251212
Remote Similarity 0.6568 NPC139085
Remote Similarity 0.6568 NPC214626
Remote Similarity 0.6567 NPC473418
Remote Similarity 0.6567 NPC167336
Remote Similarity 0.6566 NPC471124
Remote Similarity 0.6562 NPC314223
Remote Similarity 0.656 NPC30445
Remote Similarity 0.6558 NPC130251
Remote Similarity 0.6558 NPC242933
Remote Similarity 0.6556 NPC313352
Remote Similarity 0.6554 NPC5630
Remote Similarity 0.6552 NPC472119
Remote Similarity 0.6538 NPC308197
Remote Similarity 0.6532 NPC476428
Remote Similarity 0.6531 NPC252794
Remote Similarity 0.6524 NPC276085
Remote Similarity 0.6519 NPC470579
Remote Similarity 0.6516 NPC43477
Remote Similarity 0.6514 NPC469460
Remote Similarity 0.6514 NPC259626
Remote Similarity 0.6514 NPC472209
Remote Similarity 0.6509 NPC318183
Remote Similarity 0.6508 NPC176858
Remote Similarity 0.6506 NPC313757
Remote Similarity 0.6503 NPC214428
Remote Similarity 0.6503 NPC177684
Remote Similarity 0.6503 NPC291962
Remote Similarity 0.6503 NPC477156
Remote Similarity 0.6503 NPC477157
Remote Similarity 0.65 NPC230313
Remote Similarity 0.6497 NPC284706
Remote Similarity 0.6493 NPC38262
Remote Similarity 0.6491 NPC471743
Remote Similarity 0.6488 NPC470971

Drug Structure

External Identifiers

TTD   DAP001135
DrugBank   DB00913
ChEMBL   CHEMBL1201347
IUPHAR/BPS   7115
PharmaGKB   PA164768817
KEGG Drug  
PubChem CID   8944
ChEBI   61203
CAS Number  144-14-9

Drug Properties

Molecular Weight  352.22
ALogP  -0.0433
MLogP  3.44
XLogP  5.434
HDA  4
HBD  1
Rotatable Bonds  9
TPSA  55.56
RO5 Violation  1