Drug Information

Drug ID:  NPD2039
Drug Name:  Nomifensine
Molecular Formula:  C16H18N2
Canonical SMILES:  CN1CC(c2ccccc2)c2c(C1)c(N)ccc2
Standard InCHI:  InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3
Standard InCHIKey:  XXPANQJNYNUNES-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD2039

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 0.8462 NPC475915
Intermediate Similarity 0.8411 NPC291610
Intermediate Similarity 0.8198 NPC79618
Intermediate Similarity 0.8173 NPC108800
Intermediate Similarity 0.8077 NPC470926
Intermediate Similarity 0.8019 NPC329430
Intermediate Similarity 0.7899 NPC264580
Intermediate Similarity 0.7876 NPC434
Intermediate Similarity 0.7823 NPC252794
Intermediate Similarity 0.7812 NPC313352
Intermediate Similarity 0.7807 NPC302790
Intermediate Similarity 0.7748 NPC239854
Intermediate Similarity 0.7667 NPC313449
Intermediate Similarity 0.7642 NPC191444
Intermediate Similarity 0.7547 NPC176858
Intermediate Similarity 0.7521 NPC192209
Intermediate Similarity 0.7479 NPC187036
Intermediate Similarity 0.7476 NPC104070
Intermediate Similarity 0.7429 NPC258046
Intermediate Similarity 0.7358 NPC262295
Intermediate Similarity 0.7344 NPC145754
Intermediate Similarity 0.7344 NPC478079
Intermediate Similarity 0.7295 NPC313673
Intermediate Similarity 0.729 NPC111233
Intermediate Similarity 0.729 NPC30445
Intermediate Similarity 0.7238 NPC169016
Intermediate Similarity 0.7234 NPC33421
Intermediate Similarity 0.7214 NPC109787
Intermediate Similarity 0.7213 NPC288232
Intermediate Similarity 0.7194 NPC264589
Intermediate Similarity 0.719 NPC296163
Intermediate Similarity 0.7132 NPC130251
Intermediate Similarity 0.7117 NPC322040
Intermediate Similarity 0.7105 NPC323726
Intermediate Similarity 0.7094 NPC474695
Intermediate Similarity 0.7064 NPC173991
Intermediate Similarity 0.7059 NPC164802
Intermediate Similarity 0.7029 NPC59084
Remote Similarity 0.6993 NPC206592
Remote Similarity 0.6981 NPC119677
Remote Similarity 0.6978 NPC473868
Remote Similarity 0.6978 NPC63157
Remote Similarity 0.697 NPC473417
Remote Similarity 0.695 NPC469735
Remote Similarity 0.6939 NPC56765
Remote Similarity 0.6916 NPC133162
Remote Similarity 0.6901 NPC469740
Remote Similarity 0.6894 NPC328590
Remote Similarity 0.6884 NPC243162
Remote Similarity 0.6866 NPC282398
Remote Similarity 0.6853 NPC21605
Remote Similarity 0.6852 NPC229477
Remote Similarity 0.6835 NPC186284
Remote Similarity 0.6835 NPC22082
Remote Similarity 0.6835 NPC301760
Remote Similarity 0.6822 NPC268534
Remote Similarity 0.6812 NPC314102
Remote Similarity 0.6812 NPC251722
Remote Similarity 0.6796 NPC271642
Remote Similarity 0.6788 NPC471123
Remote Similarity 0.6788 NPC198988
Remote Similarity 0.6786 NPC2949
Remote Similarity 0.6772 NPC320656
Remote Similarity 0.6759 NPC475763
Remote Similarity 0.6744 NPC257490
Remote Similarity 0.6738 NPC469537
Remote Similarity 0.6733 NPC469741
Remote Similarity 0.6719 NPC226143
Remote Similarity 0.6716 NPC9856
Remote Similarity 0.6714 NPC88097
Remote Similarity 0.6711 NPC318065
Remote Similarity 0.6711 NPC206819
Remote Similarity 0.6699 NPC98976
Remote Similarity 0.6696 NPC78154
Remote Similarity 0.6692 NPC476950
Remote Similarity 0.6667 NPC134825
Remote Similarity 0.6667 NPC12857
Remote Similarity 0.6644 NPC286427
Remote Similarity 0.6643 NPC169433
Remote Similarity 0.6643 NPC116519
Remote Similarity 0.6641 NPC81561
Remote Similarity 0.664 NPC314141
Remote Similarity 0.6623 NPC99632
Remote Similarity 0.6623 NPC282339
Remote Similarity 0.6621 NPC477134
Remote Similarity 0.6619 NPC325252
Remote Similarity 0.6618 NPC53044
Remote Similarity 0.661 NPC474582
Remote Similarity 0.66 NPC41257
Remote Similarity 0.66 NPC6436
Remote Similarity 0.6591 NPC192533
Remote Similarity 0.6589 NPC54102
Remote Similarity 0.6589 NPC291962
Remote Similarity 0.6589 NPC162689
Remote Similarity 0.6589 NPC177684
Remote Similarity 0.6579 NPC90723
Remote Similarity 0.6577 NPC60408
Remote Similarity 0.6573 NPC311330
Remote Similarity 0.6571 NPC98269
Remote Similarity 0.6571 NPC325662
Remote Similarity 0.6562 NPC148140
Remote Similarity 0.6556 NPC215584
Remote Similarity 0.6556 NPC44773
Remote Similarity 0.6541 NPC122718
Remote Similarity 0.6538 NPC179605
Remote Similarity 0.6538 NPC161956
Remote Similarity 0.6538 NPC112373
Remote Similarity 0.6538 NPC279385
Remote Similarity 0.6538 NPC258531
Remote Similarity 0.6533 NPC222029
Remote Similarity 0.651 NPC476219
Remote Similarity 0.65 NPC474430
Remote Similarity 0.6496 NPC22079
Remote Similarity 0.649 NPC475990
Remote Similarity 0.649 NPC193410
Remote Similarity 0.649 NPC474880
Remote Similarity 0.649 NPC36495
Remote Similarity 0.649 NPC221786
Remote Similarity 0.6489 NPC103292
Remote Similarity 0.6489 NPC314192
Remote Similarity 0.6481 NPC231986
Remote Similarity 0.6479 NPC312092
Remote Similarity 0.6479 NPC104483
Remote Similarity 0.6476 NPC139658
Remote Similarity 0.6467 NPC51054
Remote Similarity 0.6463 NPC318086
Remote Similarity 0.6458 NPC472103
Remote Similarity 0.6458 NPC20144
Remote Similarity 0.6457 NPC205652
Remote Similarity 0.6454 NPC469560
Remote Similarity 0.6449 NPC475450
Remote Similarity 0.6447 NPC248117
Remote Similarity 0.6447 NPC229173
Remote Similarity 0.6434 NPC115611
Remote Similarity 0.6419 NPC243756
Remote Similarity 0.6419 NPC66936
Remote Similarity 0.6419 NPC154602
Remote Similarity 0.641 NPC194411
Remote Similarity 0.64 NPC476297
Remote Similarity 0.6392 NPC475097
Remote Similarity 0.6385 NPC228515
Remote Similarity 0.6382 NPC276085
Remote Similarity 0.6381 NPC301874
Remote Similarity 0.6379 NPC469330
Remote Similarity 0.6377 NPC476687
Remote Similarity 0.6377 NPC476685
Remote Similarity 0.6377 NPC475428
Remote Similarity 0.6377 NPC476689
Remote Similarity 0.6376 NPC470233
Remote Similarity 0.637 NPC470440
Remote Similarity 0.6364 NPC215519
Remote Similarity 0.6364 NPC110126
Remote Similarity 0.6364 NPC73767
Remote Similarity 0.6358 NPC36836
Remote Similarity 0.6358 NPC63370
Remote Similarity 0.6357 NPC300299
Remote Similarity 0.6351 NPC473329
Remote Similarity 0.634 NPC225319
Remote Similarity 0.6328 NPC470550
Remote Similarity 0.6325 NPC108339
Remote Similarity 0.6324 NPC250361
Remote Similarity 0.6323 NPC475420
Remote Similarity 0.6319 NPC469767
Remote Similarity 0.6319 NPC469761
Remote Similarity 0.6319 NPC469779
Remote Similarity 0.6319 NPC469784
Remote Similarity 0.6319 NPC469780
Remote Similarity 0.6319 NPC469768
Remote Similarity 0.6319 NPC469783
Remote Similarity 0.6316 NPC61013
Remote Similarity 0.6312 NPC325599
Remote Similarity 0.6311 NPC271732
Remote Similarity 0.6311 NPC328877
Remote Similarity 0.6309 NPC40070
Remote Similarity 0.6309 NPC53947
Remote Similarity 0.6304 NPC473587
Remote Similarity 0.6291 NPC473297
Remote Similarity 0.629 NPC172170
Remote Similarity 0.6289 NPC37423
Remote Similarity 0.6289 NPC275305
Remote Similarity 0.6288 NPC316582
Remote Similarity 0.6286 NPC473930
Remote Similarity 0.6286 NPC112609
Remote Similarity 0.6286 NPC316104
Remote Similarity 0.6286 NPC162417
Remote Similarity 0.6286 NPC122327
Remote Similarity 0.6286 NPC113000
Remote Similarity 0.6277 NPC209389
Remote Similarity 0.6276 NPC469766
Remote Similarity 0.6271 NPC471320
Remote Similarity 0.6271 NPC471319
Remote Similarity 0.6269 NPC328683
Remote Similarity 0.6269 NPC283130
Remote Similarity 0.6268 NPC218268
Remote Similarity 0.6267 NPC117032
Remote Similarity 0.6266 NPC201634
Remote Similarity 0.6262 NPC290638
Remote Similarity 0.626 NPC473418
Remote Similarity 0.6259 NPC472100
Remote Similarity 0.6259 NPC204141

Drug Structure

External Identifiers

TTD   DCL000339
DrugBank   DB04821
ChEMBL   CHEMBL273575
IUPHAR/BPS   4792
PharmaGKB  
KEGG Drug  
PubChem CID   4528
ChEBI   116225
CAS Number  24526-64-5

Drug Properties

Molecular Weight  238.15
ALogP  -0.6455
MLogP  3
XLogP  4.56
HDA  2
HBD  1
Rotatable Bonds  3
TPSA  29.26
RO5 Violation  0