Drug Information

Drug ID:  NPD9599
Drug Name:  Iproniazid
Molecular Formula:  C9H13N3O
Canonical SMILES:  CC(NNC(=O)c1ccncc1)C
Standard InCHI:  InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)
Standard InCHIKey:  NYMGNSNKLVNMIA-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9599

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 0.947 NPC330326
Intermediate Similarity 0.8 NPC105811
Intermediate Similarity 0.7987 NPC467188
Intermediate Similarity 0.7877 NPC65408
Intermediate Similarity 0.7817 NPC471589
Intermediate Similarity 0.7727 NPC70406
Intermediate Similarity 0.7677 NPC251391
Intermediate Similarity 0.766 NPC27740
Intermediate Similarity 0.7643 NPC213914
Intermediate Similarity 0.7635 NPC114310
Intermediate Similarity 0.7628 NPC229055
Intermediate Similarity 0.7628 NPC209362
Intermediate Similarity 0.7613 NPC472260
Intermediate Similarity 0.7606 NPC166424
Intermediate Similarity 0.7606 NPC245244
Intermediate Similarity 0.7606 NPC146373
Intermediate Similarity 0.758 NPC74357
Intermediate Similarity 0.7569 NPC89490
Intermediate Similarity 0.7548 NPC313889
Intermediate Similarity 0.7537 NPC27802
Intermediate Similarity 0.7517 NPC475090
Intermediate Similarity 0.7517 NPC329896
Intermediate Similarity 0.7517 NPC475105
Intermediate Similarity 0.7484 NPC123906
Intermediate Similarity 0.7448 NPC313823
Intermediate Similarity 0.7447 NPC182570
Intermediate Similarity 0.7447 NPC48564
Intermediate Similarity 0.7447 NPC265605
Intermediate Similarity 0.7444 NPC76540
Intermediate Similarity 0.7299 NPC235843
Intermediate Similarity 0.7267 NPC291517
Intermediate Similarity 0.7248 NPC322488
Intermediate Similarity 0.7226 NPC159630
Intermediate Similarity 0.7226 NPC230085
Intermediate Similarity 0.7222 NPC290094
Intermediate Similarity 0.7215 NPC473878
Intermediate Similarity 0.7195 NPC233380
Intermediate Similarity 0.7181 NPC471322
Intermediate Similarity 0.7181 NPC324611
Intermediate Similarity 0.7163 NPC240136
Intermediate Similarity 0.7163 NPC297486
Intermediate Similarity 0.7163 NPC471402
Intermediate Similarity 0.716 NPC80681
Intermediate Similarity 0.7152 NPC23215
Intermediate Similarity 0.7143 NPC471313
Intermediate Similarity 0.7143 NPC471311
Intermediate Similarity 0.7134 NPC265100
Intermediate Similarity 0.7125 NPC107287
Intermediate Similarity 0.7121 NPC83987
Intermediate Similarity 0.7114 NPC282398
Intermediate Similarity 0.7113 NPC91958
Intermediate Similarity 0.7091 NPC42372
Intermediate Similarity 0.7089 NPC100726
Intermediate Similarity 0.7089 NPC112741
Intermediate Similarity 0.7075 NPC202957
Intermediate Similarity 0.7075 NPC169625
Intermediate Similarity 0.707 NPC167400
Intermediate Similarity 0.7059 NPC231655
Intermediate Similarity 0.7059 NPC472288
Intermediate Similarity 0.7048 NPC114637
Intermediate Similarity 0.7047 NPC71236
Intermediate Similarity 0.7041 NPC293216
Intermediate Similarity 0.7027 NPC306397
Intermediate Similarity 0.7027 NPC212125
Intermediate Similarity 0.7 NPC471655
Intermediate Similarity 0.7 NPC476419
Remote Similarity 0.6993 NPC143603
Remote Similarity 0.6975 NPC263455
Remote Similarity 0.697 NPC242116
Remote Similarity 0.6954 NPC477003
Remote Similarity 0.6954 NPC256893
Remote Similarity 0.6954 NPC101165
Remote Similarity 0.6951 NPC474492
Remote Similarity 0.6946 NPC41717
Remote Similarity 0.6943 NPC190296
Remote Similarity 0.6939 NPC476322
Remote Similarity 0.6914 NPC312860
Remote Similarity 0.6909 NPC470680
Remote Similarity 0.6909 NPC100104
Remote Similarity 0.6905 NPC70949
Remote Similarity 0.6901 NPC84268
Remote Similarity 0.6883 NPC29702
Remote Similarity 0.6879 NPC476454
Remote Similarity 0.6871 NPC46358
Remote Similarity 0.686 NPC284775
Remote Similarity 0.6855 NPC314372
Remote Similarity 0.6852 NPC217021
Remote Similarity 0.6852 NPC470679
Remote Similarity 0.6848 NPC293487
Remote Similarity 0.6842 NPC469529
Remote Similarity 0.6839 NPC191415
Remote Similarity 0.6839 NPC84911
Remote Similarity 0.6839 NPC470677
Remote Similarity 0.6826 NPC478184
Remote Similarity 0.6826 NPC478182
Remote Similarity 0.6807 NPC473706
Remote Similarity 0.6798 NPC103119
Remote Similarity 0.6782 NPC73994
Remote Similarity 0.6776 NPC315320
Remote Similarity 0.6774 NPC261195
Remote Similarity 0.6774 NPC96102
Remote Similarity 0.6774 NPC29886
Remote Similarity 0.6763 NPC83774
Remote Similarity 0.6763 NPC237188
Remote Similarity 0.6763 NPC157583
Remote Similarity 0.6752 NPC110126
Remote Similarity 0.6752 NPC73767
Remote Similarity 0.675 NPC159856
Remote Similarity 0.6732 NPC82295
Remote Similarity 0.6731 NPC105127
Remote Similarity 0.6731 NPC471312
Remote Similarity 0.6722 NPC476460
Remote Similarity 0.6711 NPC476131
Remote Similarity 0.6709 NPC469780
Remote Similarity 0.6709 NPC469761
Remote Similarity 0.6709 NPC469767
Remote Similarity 0.6709 NPC469784
Remote Similarity 0.6709 NPC469779
Remote Similarity 0.6709 NPC469783
Remote Similarity 0.6709 NPC469768
Remote Similarity 0.6708 NPC302159
Remote Similarity 0.6707 NPC200214
Remote Similarity 0.6705 NPC102755
Remote Similarity 0.6689 NPC329825
Remote Similarity 0.6689 NPC165370
Remote Similarity 0.6687 NPC24678
Remote Similarity 0.6687 NPC105818
Remote Similarity 0.6686 NPC61011
Remote Similarity 0.6667 NPC469766
Remote Similarity 0.6667 NPC69914
Remote Similarity 0.6667 NPC471957
Remote Similarity 0.6667 NPC473380
Remote Similarity 0.6667 NPC240088
Remote Similarity 0.6667 NPC478185
Remote Similarity 0.6648 NPC326422
Remote Similarity 0.6647 NPC56233
Remote Similarity 0.6647 NPC478183
Remote Similarity 0.6647 NPC113812
Remote Similarity 0.6646 NPC470440
Remote Similarity 0.6643 NPC473901
Remote Similarity 0.6629 NPC265710
Remote Similarity 0.6629 NPC11126
Remote Similarity 0.6628 NPC54214
Remote Similarity 0.6628 NPC249614
Remote Similarity 0.6626 NPC102664
Remote Similarity 0.6626 NPC321911
Remote Similarity 0.6624 NPC251722
Remote Similarity 0.6624 NPC314102
Remote Similarity 0.661 NPC470205
Remote Similarity 0.6606 NPC469786
Remote Similarity 0.6606 NPC469763
Remote Similarity 0.6606 NPC25008
Remote Similarity 0.6606 NPC469765
Remote Similarity 0.6606 NPC73952
Remote Similarity 0.6606 NPC259644
Remote Similarity 0.6606 NPC469760
Remote Similarity 0.6604 NPC279081
Remote Similarity 0.6593 NPC216550
Remote Similarity 0.6592 NPC118084
Remote Similarity 0.6591 NPC16659
Remote Similarity 0.6591 NPC477042
Remote Similarity 0.6587 NPC469897
Remote Similarity 0.6582 NPC104049
Remote Similarity 0.6573 NPC467063
Remote Similarity 0.6573 NPC110158
Remote Similarity 0.6573 NPC46895
Remote Similarity 0.657 NPC91895
Remote Similarity 0.657 NPC32534
Remote Similarity 0.6566 NPC80597
Remote Similarity 0.6566 NPC75540
Remote Similarity 0.6566 NPC211572
Remote Similarity 0.6566 NPC212376
Remote Similarity 0.6566 NPC70922
Remote Similarity 0.6566 NPC75135
Remote Similarity 0.6564 NPC469811
Remote Similarity 0.6564 NPC477974
Remote Similarity 0.6564 NPC179787
Remote Similarity 0.6564 NPC201380
Remote Similarity 0.6561 NPC328029
Remote Similarity 0.6559 NPC284338
Remote Similarity 0.6541 NPC316811
Remote Similarity 0.6541 NPC32002
Remote Similarity 0.6541 NPC315348
Remote Similarity 0.6541 NPC106824
Remote Similarity 0.6538 NPC138370
Remote Similarity 0.6536 NPC308931
Remote Similarity 0.6536 NPC99939
Remote Similarity 0.6532 NPC273532
Remote Similarity 0.6529 NPC274981
Remote Similarity 0.6527 NPC169586
Remote Similarity 0.6527 NPC476464
Remote Similarity 0.6522 NPC135950
Remote Similarity 0.6514 NPC267885
Remote Similarity 0.6508 NPC317701
Remote Similarity 0.6505 NPC34837
Remote Similarity 0.6503 NPC63545
Remote Similarity 0.65 NPC230002
Remote Similarity 0.65 NPC238499
Remote Similarity 0.6497 NPC471997
Remote Similarity 0.6486 NPC11863

Drug Structure

External Identifiers

TTD  
DrugBank   DB04818
ChEMBL   CHEMBL92401
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D02579
PubChem CID  
ChEBI   5958
CAS Number  54-92-2

Drug Properties

Molecular Weight  179.11
ALogP  -1.003
MLogP  2.01
XLogP  1.686
HDA  4
HBD  2
Rotatable Bonds  6
TPSA  54.02
RO5 Violation  0