Drug Information

Drug ID:  NPD1597
Drug Name:  11C-6-Me-BTA-1
Molecular Formula:  C15H14N2S
Canonical SMILES:  [11CH3]Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C
Standard InCHI:  InChI=1S/C15H14N2S/c1-10-3-8-13-14(9-10)18-15(17-13)11-4-6-12(16-2)7-5-11/h3-9,16H,1-2H3/i2-1
Standard InCHIKey:  GGFYWXBSNMOKOK-JVVVGQRLSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1597

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 0.9257 NPC161108
Intermediate Similarity 0.8252 NPC273714
Intermediate Similarity 0.8105 NPC320863
Intermediate Similarity 0.7929 NPC164228
Intermediate Similarity 0.7838 NPC287895
Intermediate Similarity 0.7799 NPC148592
Intermediate Similarity 0.7755 NPC69277
Intermediate Similarity 0.7703 NPC151779
Intermediate Similarity 0.7451 NPC179365
Intermediate Similarity 0.7358 NPC88121
Intermediate Similarity 0.7351 NPC250361
Intermediate Similarity 0.7351 NPC476140
Intermediate Similarity 0.732 NPC473587
Intermediate Similarity 0.7317 NPC470823
Intermediate Similarity 0.7315 NPC41174
Intermediate Similarity 0.7305 NPC474791
Intermediate Similarity 0.7273 NPC22079
Intermediate Similarity 0.7273 NPC475428
Intermediate Similarity 0.7261 NPC325252
Intermediate Similarity 0.7255 NPC473762
Intermediate Similarity 0.7226 NPC475450
Intermediate Similarity 0.7212 NPC216713
Intermediate Similarity 0.7197 NPC198988
Intermediate Similarity 0.7135 NPC147810
Intermediate Similarity 0.7134 NPC471957
Intermediate Similarity 0.7107 NPC125746
Intermediate Similarity 0.7107 NPC84911
Intermediate Similarity 0.7081 NPC115611
Intermediate Similarity 0.707 NPC473930
Intermediate Similarity 0.7044 NPC96102
Intermediate Similarity 0.7044 NPC261195
Intermediate Similarity 0.7044 NPC218268
Intermediate Similarity 0.7044 NPC29886
Intermediate Similarity 0.7019 NPC73767
Intermediate Similarity 0.7019 NPC110126
Intermediate Similarity 0.7006 NPC82295
Intermediate Similarity 0.7 NPC105127
Remote Similarity 0.6993 NPC122718
Remote Similarity 0.6975 NPC469784
Remote Similarity 0.6975 NPC59084
Remote Similarity 0.6975 NPC2949
Remote Similarity 0.6975 NPC469779
Remote Similarity 0.6975 NPC469780
Remote Similarity 0.6975 NPC469783
Remote Similarity 0.6975 NPC469768
Remote Similarity 0.6975 NPC469767
Remote Similarity 0.6975 NPC469761
Remote Similarity 0.697 NPC288838
Remote Similarity 0.6964 NPC200214
Remote Similarity 0.6954 NPC215519
Remote Similarity 0.6946 NPC53947
Remote Similarity 0.6933 NPC469766
Remote Similarity 0.6933 NPC162689
Remote Similarity 0.6933 NPC473868
Remote Similarity 0.6933 NPC63157
Remote Similarity 0.6933 NPC54102
Remote Similarity 0.6927 NPC249662
Remote Similarity 0.6919 NPC173344
Remote Similarity 0.6914 NPC88097
Remote Similarity 0.6913 NPC148140
Remote Similarity 0.689 NPC190296
Remote Similarity 0.6886 NPC321911
Remote Similarity 0.6884 NPC149014
Remote Similarity 0.6871 NPC279081
Remote Similarity 0.6871 NPC284635
Remote Similarity 0.6867 NPC81561
Remote Similarity 0.6845 NPC33421
Remote Similarity 0.6826 NPC179787
Remote Similarity 0.6826 NPC469811
Remote Similarity 0.6826 NPC201380
Remote Similarity 0.6826 NPC21605
Remote Similarity 0.6818 NPC474168
Remote Similarity 0.6816 NPC77022
Remote Similarity 0.681 NPC312092
Remote Similarity 0.6807 NPC204141
Remote Similarity 0.6807 NPC314372
Remote Similarity 0.6807 NPC470440
Remote Similarity 0.679 NPC251722
Remote Similarity 0.679 NPC314102
Remote Similarity 0.6782 NPC216221
Remote Similarity 0.6768 NPC230002
Remote Similarity 0.6766 NPC63545
Remote Similarity 0.6766 NPC143872
Remote Similarity 0.6765 NPC325903
Remote Similarity 0.6763 NPC215584
Remote Similarity 0.6763 NPC44773
Remote Similarity 0.6744 NPC316910
Remote Similarity 0.673 NPC282398
Remote Similarity 0.6725 NPC476297
Remote Similarity 0.6725 NPC476219
Remote Similarity 0.6722 NPC248454
Remote Similarity 0.6707 NPC159856
Remote Similarity 0.6707 NPC285731
Remote Similarity 0.6706 NPC470233
Remote Similarity 0.6705 NPC318065
Remote Similarity 0.6705 NPC221786
Remote Similarity 0.6705 NPC475990
Remote Similarity 0.6705 NPC474880
Remote Similarity 0.6705 NPC206819
Remote Similarity 0.6705 NPC56765
Remote Similarity 0.6686 NPC2272
Remote Similarity 0.6686 NPC124005
Remote Similarity 0.6685 NPC49051
Remote Similarity 0.6667 NPC27740
Remote Similarity 0.6647 NPC24678
Remote Similarity 0.6647 NPC242556
Remote Similarity 0.6647 NPC216643
Remote Similarity 0.6647 NPC286427
Remote Similarity 0.6647 NPC105818
Remote Similarity 0.6628 NPC38736
Remote Similarity 0.6627 NPC477134
Remote Similarity 0.6609 NPC41257
Remote Similarity 0.6609 NPC135141
Remote Similarity 0.6609 NPC92796
Remote Similarity 0.6606 NPC104483
Remote Similarity 0.6603 NPC46358
Remote Similarity 0.6591 NPC90723
Remote Similarity 0.6588 NPC37548
Remote Similarity 0.6585 NPC150259
Remote Similarity 0.6576 NPC163055
Remote Similarity 0.6571 NPC229173
Remote Similarity 0.657 NPC469786
Remote Similarity 0.657 NPC469763
Remote Similarity 0.657 NPC232798
Remote Similarity 0.657 NPC469765
Remote Similarity 0.657 NPC259644
Remote Similarity 0.657 NPC25008
Remote Similarity 0.657 NPC469760
Remote Similarity 0.657 NPC141926
Remote Similarity 0.657 NPC73952
Remote Similarity 0.6566 NPC238499
Remote Similarity 0.6552 NPC236711
Remote Similarity 0.6552 NPC469897
Remote Similarity 0.6545 NPC169433
Remote Similarity 0.6532 NPC34844
Remote Similarity 0.6532 NPC212376
Remote Similarity 0.6532 NPC80597
Remote Similarity 0.6532 NPC75540
Remote Similarity 0.6532 NPC211572
Remote Similarity 0.6532 NPC70922
Remote Similarity 0.6497 NPC317105
Remote Similarity 0.6494 NPC184476
Remote Similarity 0.649 NPC153467
Remote Similarity 0.6488 NPC20144
Remote Similarity 0.6477 NPC122141
Remote Similarity 0.6477 NPC470204
Remote Similarity 0.6471 NPC316069
Remote Similarity 0.6471 NPC129042
Remote Similarity 0.6457 NPC76982
Remote Similarity 0.6444 NPC91895
Remote Similarity 0.6444 NPC194411
Remote Similarity 0.6441 NPC282231
Remote Similarity 0.6441 NPC16667
Remote Similarity 0.6441 NPC470203
Remote Similarity 0.6437 NPC470507
Remote Similarity 0.6433 NPC470111
Remote Similarity 0.6433 NPC114209
Remote Similarity 0.6425 NPC272483
Remote Similarity 0.6415 NPC245244
Remote Similarity 0.6415 NPC166424
Remote Similarity 0.6415 NPC146373
Remote Similarity 0.64 NPC285469
Remote Similarity 0.64 NPC469785
Remote Similarity 0.6395 NPC187951
Remote Similarity 0.6389 NPC63751
Remote Similarity 0.6384 NPC473320
Remote Similarity 0.6384 NPC279918
Remote Similarity 0.6382 NPC175916
Remote Similarity 0.637 NPC328877
Remote Similarity 0.6369 NPC265605
Remote Similarity 0.6369 NPC48564
Remote Similarity 0.6369 NPC182570
Remote Similarity 0.6364 NPC469762
Remote Similarity 0.6358 NPC40070
Remote Similarity 0.6354 NPC474897
Remote Similarity 0.635 NPC66699
Remote Similarity 0.6349 NPC238242
Remote Similarity 0.6348 NPC225018
Remote Similarity 0.6343 NPC471458
Remote Similarity 0.634 NPC143156
Remote Similarity 0.6339 NPC37423
Remote Similarity 0.6339 NPC275305
Remote Similarity 0.6333 NPC49954
Remote Similarity 0.6333 NPC474561
Remote Similarity 0.6331 NPC277157
Remote Similarity 0.6316 NPC188104
Remote Similarity 0.6313 NPC247987
Remote Similarity 0.6313 NPC8104
Remote Similarity 0.6313 NPC311276
Remote Similarity 0.6313 NPC271797
Remote Similarity 0.6313 NPC21174
Remote Similarity 0.6313 NPC271734
Remote Similarity 0.6307 NPC476464
Remote Similarity 0.6307 NPC141353
Remote Similarity 0.6307 NPC51054
Remote Similarity 0.6298 NPC201700
Remote Similarity 0.6294 NPC469308
Remote Similarity 0.6292 NPC131718
Remote Similarity 0.6284 NPC477611
Remote Similarity 0.6282 NPC91958

Drug Structure

External Identifiers

TTD   DIB006154
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  254.09
ALogP  0.9145
MLogP  2.78
XLogP  4.172
HDA  2
HBD  1
Rotatable Bonds  4
TPSA  53.16
RO5 Violation  0