Drug Information

Drug ID:  NPD6069
Drug Name:  Bepridil Hydrochloride
Molecular Formula:  C24H34N2O.ClH.H2O
Canonical SMILES:  CC(COCC(N1CCCC1)CN(c1ccccc1)Cc1ccccc1)C.O.Cl
Standard InCHI:  InChI=1S/C24H34N2O.ClH.H2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22;;/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3;1H;1H2
Standard InCHIKey:  UEECHQPWQHYEDE-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6069

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 0.8036 NPC291610
Intermediate Similarity 0.754 NPC475915
Intermediate Similarity 0.7462 NPC476950
Intermediate Similarity 0.736 NPC192209
Intermediate Similarity 0.7317 NPC296163
Intermediate Similarity 0.7188 NPC316582
Intermediate Similarity 0.7087 NPC313449
Intermediate Similarity 0.7068 NPC478079
Intermediate Similarity 0.704 NPC187036
Intermediate Similarity 0.7023 NPC283130
Intermediate Similarity 0.7023 NPC328683
Intermediate Similarity 0.7008 NPC313673
Remote Similarity 0.6977 NPC226143
Remote Similarity 0.6929 NPC288232
Remote Similarity 0.6899 NPC264580
Remote Similarity 0.6861 NPC53044
Remote Similarity 0.6842 NPC85651
Remote Similarity 0.6831 NPC186284
Remote Similarity 0.6831 NPC22082
Remote Similarity 0.6831 NPC470301
Remote Similarity 0.6828 NPC264589
Remote Similarity 0.6815 NPC145754
Remote Similarity 0.6794 NPC161956
Remote Similarity 0.6794 NPC112373
Remote Similarity 0.6794 NPC258531
Remote Similarity 0.6774 NPC164802
Remote Similarity 0.6772 NPC57051
Remote Similarity 0.6769 NPC228515
Remote Similarity 0.6763 NPC184437
Remote Similarity 0.6763 NPC316104
Remote Similarity 0.6763 NPC162417
Remote Similarity 0.6757 NPC66936
Remote Similarity 0.6755 NPC104345
Remote Similarity 0.6742 NPC257490
Remote Similarity 0.6718 NPC177684
Remote Similarity 0.6718 NPC291962
Remote Similarity 0.6694 NPC20322
Remote Similarity 0.669 NPC311330
Remote Similarity 0.6667 NPC212799
Remote Similarity 0.6667 NPC478076
Remote Similarity 0.6667 NPC471123
Remote Similarity 0.6645 NPC475420
Remote Similarity 0.6643 NPC313352
Remote Similarity 0.6643 NPC130251
Remote Similarity 0.6638 NPC470926
Remote Similarity 0.6636 NPC231986
Remote Similarity 0.6603 NPC472115
Remote Similarity 0.6603 NPC472114
Remote Similarity 0.6597 NPC301760
Remote Similarity 0.6597 NPC104483
Remote Similarity 0.6594 NPC9856
Remote Similarity 0.6594 NPC473417
Remote Similarity 0.6579 NPC29285
Remote Similarity 0.656 NPC434
Remote Similarity 0.656 NPC79618
Remote Similarity 0.6558 NPC474058
Remote Similarity 0.6552 NPC78154
Remote Similarity 0.6549 NPC325599
Remote Similarity 0.6549 NPC229477
Remote Similarity 0.6538 NPC101139
Remote Similarity 0.6536 NPC113946
Remote Similarity 0.6533 NPC243756
Remote Similarity 0.6529 NPC75496
Remote Similarity 0.6528 NPC243162
Remote Similarity 0.651 NPC109787
Remote Similarity 0.651 NPC321617
Remote Similarity 0.6508 NPC302790
Remote Similarity 0.6504 NPC474430
Remote Similarity 0.6496 NPC252794
Remote Similarity 0.6496 NPC250476
Remote Similarity 0.6493 NPC314192
Remote Similarity 0.649 NPC122106
Remote Similarity 0.6481 NPC271642
Remote Similarity 0.6475 NPC326792
Remote Similarity 0.6475 NPC226662
Remote Similarity 0.6458 NPC469560
Remote Similarity 0.6452 NPC255229
Remote Similarity 0.6452 NPC81229
Remote Similarity 0.6443 NPC254798
Remote Similarity 0.6438 NPC473880
Remote Similarity 0.6434 NPC267508
Remote Similarity 0.6429 NPC222029
Remote Similarity 0.6424 NPC475763
Remote Similarity 0.6424 NPC314223
Remote Similarity 0.6419 NPC116519
Remote Similarity 0.6419 NPC470824
Remote Similarity 0.641 NPC191444
Remote Similarity 0.6403 NPC209389
Remote Similarity 0.64 NPC474695
Remote Similarity 0.6398 NPC469938
Remote Similarity 0.6389 NPC98976
Remote Similarity 0.6387 NPC276085
Remote Similarity 0.6386 NPC476095
Remote Similarity 0.6383 NPC476687
Remote Similarity 0.6383 NPC476689
Remote Similarity 0.6383 NPC476685
Remote Similarity 0.6376 NPC469735
Remote Similarity 0.6376 NPC472100
Remote Similarity 0.6372 NPC134825
Remote Similarity 0.637 NPC471574
Remote Similarity 0.637 NPC103292
Remote Similarity 0.637 NPC471164
Remote Similarity 0.6364 NPC256288
Remote Similarity 0.6358 NPC472122
Remote Similarity 0.6358 NPC24594
Remote Similarity 0.6357 NPC187231
Remote Similarity 0.6351 NPC20144
Remote Similarity 0.6346 NPC68650
Remote Similarity 0.6346 NPC225319
Remote Similarity 0.6341 NPC11149
Remote Similarity 0.6335 NPC285622
Remote Similarity 0.6335 NPC476425
Remote Similarity 0.6335 NPC473743
Remote Similarity 0.6333 NPC469740
Remote Similarity 0.6329 NPC472106
Remote Similarity 0.6325 NPC2933
Remote Similarity 0.6325 NPC176858
Remote Similarity 0.6324 NPC39818
Remote Similarity 0.6319 NPC198988
Remote Similarity 0.6316 NPC154602
Remote Similarity 0.6316 NPC169016
Remote Similarity 0.6312 NPC231382
Remote Similarity 0.631 NPC285841
Remote Similarity 0.6306 NPC472101
Remote Similarity 0.6306 NPC286871
Remote Similarity 0.6306 NPC472120
Remote Similarity 0.6306 NPC99632
Remote Similarity 0.6306 NPC176983
Remote Similarity 0.6306 NPC282339
Remote Similarity 0.6304 NPC472244
Remote Similarity 0.6304 NPC470343
Remote Similarity 0.6296 NPC476990
Remote Similarity 0.6296 NPC179605
Remote Similarity 0.6296 NPC279385
Remote Similarity 0.6287 NPC259626
Remote Similarity 0.6286 NPC150863
Remote Similarity 0.6284 NPC63157
Remote Similarity 0.6284 NPC469537
Remote Similarity 0.6284 NPC473868
Remote Similarity 0.6276 NPC325252
Remote Similarity 0.6275 NPC285381
Remote Similarity 0.627 NPC473418
Remote Similarity 0.6269 NPC220698
Remote Similarity 0.6267 NPC470440
Remote Similarity 0.6259 NPC88097
Remote Similarity 0.6258 NPC320147
Remote Similarity 0.6258 NPC36836
Remote Similarity 0.6258 NPC51054
Remote Similarity 0.6258 NPC63370
Remote Similarity 0.625 NPC474974
Remote Similarity 0.625 NPC473615
Remote Similarity 0.625 NPC473329
Remote Similarity 0.625 NPC300299
Remote Similarity 0.625 NPC202521
Remote Similarity 0.6242 NPC143457
Remote Similarity 0.6242 NPC136002
Remote Similarity 0.6242 NPC472102
Remote Similarity 0.6242 NPC187827
Remote Similarity 0.6242 NPC201424
Remote Similarity 0.6242 NPC472105
Remote Similarity 0.6242 NPC309531
Remote Similarity 0.6242 NPC472103
Remote Similarity 0.6241 NPC314431
Remote Similarity 0.6241 NPC470544
Remote Similarity 0.6241 NPC472245
Remote Similarity 0.6241 NPC280807
Remote Similarity 0.6235 NPC472123
Remote Similarity 0.6235 NPC96901
Remote Similarity 0.623 NPC472258
Remote Similarity 0.6228 NPC104070
Remote Similarity 0.6228 NPC119677
Remote Similarity 0.622 NPC14325
Remote Similarity 0.622 NPC28848
Remote Similarity 0.6216 NPC59084
Remote Similarity 0.6213 NPC181928
Remote Similarity 0.6213 NPC229484
Remote Similarity 0.6211 NPC472118
Remote Similarity 0.6209 NPC206592
Remote Similarity 0.6204 NPC265605
Remote Similarity 0.6204 NPC48564
Remote Similarity 0.6204 NPC182570
Remote Similarity 0.6204 NPC252878
Remote Similarity 0.6203 NPC476231
Remote Similarity 0.6203 NPC469741
Remote Similarity 0.6203 NPC472117
Remote Similarity 0.6198 NPC329430
Remote Similarity 0.6196 NPC475097
Remote Similarity 0.6194 NPC31651
Remote Similarity 0.6194 NPC476566
Remote Similarity 0.6194 NPC470507
Remote Similarity 0.6194 NPC470545
Remote Similarity 0.619 NPC315051
Remote Similarity 0.6188 NPC279527
Remote Similarity 0.6188 NPC214960
Remote Similarity 0.6186 NPC173991
Remote Similarity 0.6182 NPC321211
Remote Similarity 0.6182 NPC133261
Remote Similarity 0.6178 NPC221786
Remote Similarity 0.6178 NPC475990
Remote Similarity 0.6178 NPC193410

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  366.27
ALogP  -0.1116
MLogP  3.77
XLogP  6.798
HDA  3
HBD  0
Rotatable Bonds  12
TPSA  15.71
RO5 Violation  1