Drug Information

Drug ID:  NPD3545
Drug Name:  Imipramine Hydrochloride
Molecular Formula:  C19H24N2.ClH
Canonical SMILES:  CN(CCCN1c2ccccc2CCc2c1cccc2)C.Cl
Standard InCHI:  InChI=1S/C19H24N2.ClH/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21;/h3-6,8-11H,7,12-15H2,1-2H3;1H
Standard InCHIKey:  XZZXIYZZBJDEEP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3545

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 0.8824 NPC291610
Intermediate Similarity 0.8125 NPC187036
Intermediate Similarity 0.8 NPC192209
Intermediate Similarity 0.8 NPC313449
Intermediate Similarity 0.7838 NPC302790
Intermediate Similarity 0.7826 NPC288232
Intermediate Similarity 0.7807 NPC296163
Intermediate Similarity 0.7759 NPC313673
Intermediate Similarity 0.7748 NPC79618
Intermediate Similarity 0.7731 NPC475915
Intermediate Similarity 0.7561 NPC252794
Intermediate Similarity 0.75 NPC476950
Intermediate Similarity 0.75 NPC145754
Intermediate Similarity 0.7434 NPC434
Intermediate Similarity 0.7429 NPC470926
Intermediate Similarity 0.7417 NPC226143
Intermediate Similarity 0.7368 NPC164802
Intermediate Similarity 0.7353 NPC229477
Intermediate Similarity 0.7333 NPC264580
Intermediate Similarity 0.7333 NPC191444
Intermediate Similarity 0.7295 NPC257490
Intermediate Similarity 0.7273 NPC291962
Intermediate Similarity 0.7273 NPC177684
Intermediate Similarity 0.7244 NPC9856
Intermediate Similarity 0.7239 NPC473868
Intermediate Similarity 0.7239 NPC63157
Intermediate Similarity 0.7238 NPC176858
Intermediate Similarity 0.7213 NPC258531
Intermediate Similarity 0.7213 NPC112373
Intermediate Similarity 0.7213 NPC161956
Intermediate Similarity 0.7212 NPC262295
Intermediate Similarity 0.7196 NPC108800
Intermediate Similarity 0.719 NPC81561
Intermediate Similarity 0.7143 NPC111233
Intermediate Similarity 0.7143 NPC271642
Intermediate Similarity 0.7109 NPC473417
Intermediate Similarity 0.7107 NPC148140
Intermediate Similarity 0.7087 NPC169016
Intermediate Similarity 0.7068 NPC314102
Intermediate Similarity 0.7068 NPC251722
Intermediate Similarity 0.7049 NPC228515
Intermediate Similarity 0.7045 NPC325599
Intermediate Similarity 0.7041 NPC98976
Intermediate Similarity 0.7009 NPC78154
Remote Similarity 0.6992 NPC162689
Remote Similarity 0.6992 NPC54102
Remote Similarity 0.6991 NPC239854
Remote Similarity 0.699 NPC104070
Remote Similarity 0.699 NPC134825
Remote Similarity 0.6981 NPC30445
Remote Similarity 0.6978 NPC21605
Remote Similarity 0.6935 NPC316582
Remote Similarity 0.6929 NPC122718
Remote Similarity 0.6917 NPC314141
Remote Similarity 0.6912 NPC59084
Remote Similarity 0.6909 NPC329430
Remote Similarity 0.6894 NPC162417
Remote Similarity 0.6894 NPC313352
Remote Similarity 0.6894 NPC316104
Remote Similarity 0.688 NPC215519
Remote Similarity 0.6857 NPC109787
Remote Similarity 0.6842 NPC300299
Remote Similarity 0.6838 NPC104483
Remote Similarity 0.6827 NPC119677
Remote Similarity 0.6825 NPC268534
Remote Similarity 0.6822 NPC478079
Remote Similarity 0.6815 NPC150259
Remote Similarity 0.68 NPC279385
Remote Similarity 0.68 NPC179605
Remote Similarity 0.6796 NPC231986
Remote Similarity 0.6791 NPC471123
Remote Similarity 0.6791 NPC198988
Remote Similarity 0.6788 NPC2949
Remote Similarity 0.6783 NPC474430
Remote Similarity 0.6765 NPC130251
Remote Similarity 0.6746 NPC103292
Remote Similarity 0.6742 NPC22079
Remote Similarity 0.6742 NPC53044
Remote Similarity 0.6736 NPC476297
Remote Similarity 0.6719 NPC46358
Remote Similarity 0.6715 NPC186284
Remote Similarity 0.6715 NPC22082
Remote Similarity 0.6715 NPC301760
Remote Similarity 0.6714 NPC469735
Remote Similarity 0.6693 NPC39818
Remote Similarity 0.6692 NPC475450
Remote Similarity 0.6691 NPC20144
Remote Similarity 0.6691 NPC469560
Remote Similarity 0.6667 NPC474695
Remote Similarity 0.6667 NPC267508
Remote Similarity 0.6667 NPC323726
Remote Similarity 0.6667 NPC12857
Remote Similarity 0.6667 NPC469740
Remote Similarity 0.6643 NPC40070
Remote Similarity 0.6642 NPC184437
Remote Similarity 0.664 NPC471402
Remote Similarity 0.664 NPC240136
Remote Similarity 0.664 NPC297486
Remote Similarity 0.6639 NPC57051
Remote Similarity 0.6618 NPC325252
Remote Similarity 0.6606 NPC173991
Remote Similarity 0.6596 NPC264589
Remote Similarity 0.6594 NPC88097
Remote Similarity 0.6594 NPC110126
Remote Similarity 0.6594 NPC73767
Remote Similarity 0.6587 NPC91958
Remote Similarity 0.6569 NPC83214
Remote Similarity 0.6565 NPC250361
Remote Similarity 0.6562 NPC265605
Remote Similarity 0.6562 NPC48564
Remote Similarity 0.6562 NPC182570
Remote Similarity 0.656 NPC476566
Remote Similarity 0.6547 NPC469767
Remote Similarity 0.6547 NPC469784
Remote Similarity 0.6547 NPC469779
Remote Similarity 0.6547 NPC469783
Remote Similarity 0.6547 NPC469780
Remote Similarity 0.6547 NPC469761
Remote Similarity 0.6547 NPC469768
Remote Similarity 0.6541 NPC473587
Remote Similarity 0.6538 NPC470343
Remote Similarity 0.6538 NPC472244
Remote Similarity 0.6538 NPC476322
Remote Similarity 0.6535 NPC317564
Remote Similarity 0.6528 NPC33421
Remote Similarity 0.6528 NPC206592
Remote Similarity 0.6522 NPC75496
Remote Similarity 0.6515 NPC150863
Remote Similarity 0.6515 NPC328590
Remote Similarity 0.6515 NPC209389
Remote Similarity 0.6512 NPC41174
Remote Similarity 0.6512 NPC283130
Remote Similarity 0.6512 NPC328683
Remote Similarity 0.65 NPC469766
Remote Similarity 0.6496 NPC218268
Remote Similarity 0.6493 NPC476685
Remote Similarity 0.6493 NPC476689
Remote Similarity 0.6493 NPC476687
Remote Similarity 0.6493 NPC475428
Remote Similarity 0.6489 NPC250476
Remote Similarity 0.6481 NPC258046
Remote Similarity 0.6475 NPC315348
Remote Similarity 0.6475 NPC316811
Remote Similarity 0.6475 NPC471574
Remote Similarity 0.6475 NPC32002
Remote Similarity 0.6466 NPC472245
Remote Similarity 0.6466 NPC473762
Remote Similarity 0.6466 NPC326792
Remote Similarity 0.6466 NPC314431
Remote Similarity 0.6466 NPC280807
Remote Similarity 0.6462 NPC290094
Remote Similarity 0.6449 NPC133162
Remote Similarity 0.6449 NPC105127
Remote Similarity 0.6449 NPC84911
Remote Similarity 0.6444 NPC179365
Remote Similarity 0.6439 NPC476140
Remote Similarity 0.6429 NPC115611
Remote Similarity 0.6417 NPC20322
Remote Similarity 0.6414 NPC53947
Remote Similarity 0.6408 NPC325662
Remote Similarity 0.6408 NPC98269
Remote Similarity 0.6403 NPC315051
Remote Similarity 0.6403 NPC169433
Remote Similarity 0.6397 NPC473930
Remote Similarity 0.6395 NPC476219
Remote Similarity 0.6387 NPC313362
Remote Similarity 0.6385 NPC329825
Remote Similarity 0.6383 NPC469537
Remote Similarity 0.6377 NPC96102
Remote Similarity 0.6377 NPC29886
Remote Similarity 0.6377 NPC261195
Remote Similarity 0.6372 NPC322040
Remote Similarity 0.637 NPC282398
Remote Similarity 0.637 NPC69914
Remote Similarity 0.6364 NPC146373
Remote Similarity 0.6364 NPC245244
Remote Similarity 0.6364 NPC166424
Remote Similarity 0.6364 NPC470440
Remote Similarity 0.6351 NPC51054
Remote Similarity 0.6349 NPC147957
Remote Similarity 0.6343 NPC187231
Remote Similarity 0.6338 NPC136002
Remote Similarity 0.6338 NPC311330
Remote Similarity 0.6336 NPC192533
Remote Similarity 0.6331 NPC125746
Remote Similarity 0.6328 NPC143603
Remote Similarity 0.6319 NPC212799
Remote Similarity 0.6319 NPC288838
Remote Similarity 0.6316 NPC108339
Remote Similarity 0.6316 NPC202957
Remote Similarity 0.6316 NPC169625
Remote Similarity 0.6312 NPC238499
Remote Similarity 0.6311 NPC139658
Remote Similarity 0.6303 NPC328877
Remote Similarity 0.6301 NPC243756
Remote Similarity 0.6301 NPC154602
Remote Similarity 0.6301 NPC66936
Remote Similarity 0.6296 NPC231382
Remote Similarity 0.6296 NPC476131
Remote Similarity 0.6286 NPC243162

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  280.19
ALogP  0.091
MLogP  3.33
XLogP  5.244
HDA  2
HBD  0
Rotatable Bonds  6
TPSA  6.48
RO5 Violation  1