Drug Information

Drug ID:  NPD3484
Drug Name:  Mepazine
Molecular Formula:  C19H22N2S
Canonical SMILES:  CN1CCCC(C1)CN1c2ccccc2Sc2c1cccc2
Standard InCHI:  InChI=1S/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3
Standard InCHIKey:  CBHCDHNUZWWAPP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3484

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 0.877 NPC473417
Intermediate Similarity 0.8214 NPC328877
Intermediate Similarity 0.7876 NPC291610
Intermediate Similarity 0.7 NPC475915
Remote Similarity 0.6806 NPC320863
Remote Similarity 0.6797 NPC218710
Remote Similarity 0.6741 NPC252794
Remote Similarity 0.6696 NPC229477
Remote Similarity 0.6692 NPC313449
Remote Similarity 0.6622 NPC321617
Remote Similarity 0.6565 NPC192209
Remote Similarity 0.6512 NPC296163
Remote Similarity 0.6512 NPC187036
Remote Similarity 0.6508 NPC302790
Remote Similarity 0.6412 NPC288232
Remote Similarity 0.6372 NPC134825
Remote Similarity 0.6356 NPC470926
Remote Similarity 0.6299 NPC79618
Remote Similarity 0.6299 NPC434
Remote Similarity 0.6269 NPC264580
Remote Similarity 0.6159 NPC469735
Remote Similarity 0.6143 NPC273714
Remote Similarity 0.6103 NPC226143
Remote Similarity 0.6099 NPC476140
Remote Similarity 0.6096 NPC471123
Remote Similarity 0.6056 NPC328590
Remote Similarity 0.6042 NPC53044
Remote Similarity 0.6032 NPC239854
Remote Similarity 0.6026 NPC20144
Remote Similarity 0.6026 NPC161108
Remote Similarity 0.6014 NPC9856
Remote Similarity 0.6014 NPC314102
Remote Similarity 0.6014 NPC257490
Remote Similarity 0.6014 NPC251722
Remote Similarity 0.6 NPC164802
Remote Similarity 0.6 NPC206592
Remote Similarity 0.5986 NPC476950
Remote Similarity 0.5986 NPC145754
Remote Similarity 0.5984 NPC474430
Remote Similarity 0.5974 NPC21605
Remote Similarity 0.5973 NPC130251
Remote Similarity 0.5966 NPC297532
Remote Similarity 0.5959 NPC313352
Remote Similarity 0.5957 NPC476322
Remote Similarity 0.5952 NPC326792
Remote Similarity 0.5948 NPC104070
Remote Similarity 0.5935 NPC329430
Remote Similarity 0.5933 NPC22082
Remote Similarity 0.5933 NPC186284
Remote Similarity 0.5923 NPC20322
Remote Similarity 0.5912 NPC81561
Remote Similarity 0.5909 NPC469740
Remote Similarity 0.5906 NPC469560
Remote Similarity 0.5894 NPC59084
Remote Similarity 0.5893 NPC271642
Remote Similarity 0.5891 NPC313362
Remote Similarity 0.5882 NPC313673
Remote Similarity 0.5874 NPC469949
Remote Similarity 0.5874 NPC478079
Remote Similarity 0.5873 NPC75496
Remote Similarity 0.5871 NPC109787
Remote Similarity 0.587 NPC54102
Remote Similarity 0.587 NPC291962
Remote Similarity 0.587 NPC177684
Remote Similarity 0.587 NPC162689
Remote Similarity 0.5868 NPC191444
Remote Similarity 0.5862 NPC476131
Remote Similarity 0.5856 NPC66775
Remote Similarity 0.5855 NPC473868
Remote Similarity 0.5855 NPC63157
Remote Similarity 0.5845 NPC122718
Remote Similarity 0.5839 NPC148140
Remote Similarity 0.5828 NPC470301
Remote Similarity 0.5828 NPC88097
Remote Similarity 0.5827 NPC112373
Remote Similarity 0.5827 NPC258531
Remote Similarity 0.5827 NPC161956
Remote Similarity 0.5822 NPC69914
Remote Similarity 0.5816 NPC329825
Remote Similarity 0.5809 NPC143156
Remote Similarity 0.5804 NPC98976
Remote Similarity 0.5796 NPC148592
Remote Similarity 0.5796 NPC40070
Remote Similarity 0.5793 NPC287895
Remote Similarity 0.5785 NPC315403
Remote Similarity 0.5785 NPC176858
Remote Similarity 0.5776 NPC221786
Remote Similarity 0.5776 NPC475990
Remote Similarity 0.5776 NPC474880
Remote Similarity 0.5769 NPC474695
Remote Similarity 0.5766 NPC125416
Remote Similarity 0.5764 NPC135488
Remote Similarity 0.5763 NPC169016
Remote Similarity 0.5759 NPC470233
Remote Similarity 0.5752 NPC88121
Remote Similarity 0.575 NPC262295
Remote Similarity 0.5745 NPC182570
Remote Similarity 0.5745 NPC48564
Remote Similarity 0.5745 NPC265605
Remote Similarity 0.5745 NPC268534
Remote Similarity 0.5742 NPC264589
Remote Similarity 0.5741 NPC229173
Remote Similarity 0.5725 NPC31651
Remote Similarity 0.5724 NPC104483
Remote Similarity 0.5724 NPC316811
Remote Similarity 0.5724 NPC301760
Remote Similarity 0.5724 NPC32002
Remote Similarity 0.5724 NPC315348
Remote Similarity 0.5714 NPC469897
Remote Similarity 0.5706 NPC469741
Remote Similarity 0.5705 NPC300299
Remote Similarity 0.5696 NPC33421
Remote Similarity 0.5694 NPC245244
Remote Similarity 0.5694 NPC146373
Remote Similarity 0.5694 NPC69277
Remote Similarity 0.5694 NPC166424
Remote Similarity 0.5687 NPC476219
Remote Similarity 0.5686 NPC2949
Remote Similarity 0.5683 NPC471402
Remote Similarity 0.5683 NPC240136
Remote Similarity 0.5683 NPC297486
Remote Similarity 0.5674 NPC215519
Remote Similarity 0.5667 NPC198988
Remote Similarity 0.5664 NPC46358
Remote Similarity 0.5664 NPC301874
Remote Similarity 0.5662 NPC57051
Remote Similarity 0.566 NPC117032
Remote Similarity 0.5655 NPC151779
Remote Similarity 0.5649 NPC469537
Remote Similarity 0.5645 NPC108800
Remote Similarity 0.5643 NPC91958
Remote Similarity 0.5641 NPC307456
Remote Similarity 0.5638 NPC184437
Remote Similarity 0.5636 NPC2165
Remote Similarity 0.5636 NPC195507
Remote Similarity 0.5636 NPC475420
Remote Similarity 0.563 NPC27802
Remote Similarity 0.5625 NPC213774
Remote Similarity 0.5625 NPC478076
Remote Similarity 0.562 NPC43655
Remote Similarity 0.562 NPC473901
Remote Similarity 0.5616 NPC321053
Remote Similarity 0.5615 NPC66699
Remote Similarity 0.5612 NPC476566
Remote Similarity 0.561 NPC78154
Remote Similarity 0.5608 NPC282398

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  310.15
ALogP  0.4156
MLogP  3.22
XLogP  4.741
HDA  2
HBD  0
Rotatable Bonds  3
TPSA  31.78
RO5 Violation  0