Drug Information

Drug ID:  NPD3402
Drug Name:  ABT-107
Molecular Formula:  C19H20N4O
Canonical SMILES:  c1cc2c([nH]1)ccc(c2)c1ccc(nn1)O[C@H]1CN2CCC1CC2
Standard InCHI:  InChI=1S/C19H20N4O/c1-2-16-15(5-8-20-16)11-14(1)17-3-4-19(22-21-17)24-18-12-23-9-6-13(18)7-10-23/h1-5,8,11,13,18,20H,6-7,9-10,12H2/t18-/m0/s1
Standard InCHIKey:  LUKNJAQKVPBDSC-SFHVURJKSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3402

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 0.8605 NPC180504
Intermediate Similarity 0.7972 NPC208284
Intermediate Similarity 0.7923 NPC19872
Intermediate Similarity 0.7882 NPC92111
Intermediate Similarity 0.7857 NPC285558
Intermediate Similarity 0.7838 NPC314954
Intermediate Similarity 0.7833 NPC76748
Intermediate Similarity 0.7783 NPC296527
Intermediate Similarity 0.7773 NPC118832
Intermediate Similarity 0.7773 NPC329708
Intermediate Similarity 0.7773 NPC165349
Intermediate Similarity 0.7773 NPC264166
Intermediate Similarity 0.7773 NPC274291
Intermediate Similarity 0.7773 NPC47059
Intermediate Similarity 0.7757 NPC167860
Intermediate Similarity 0.7757 NPC123976
Intermediate Similarity 0.7751 NPC329793
Intermediate Similarity 0.7751 NPC176538
Intermediate Similarity 0.7733 NPC469554
Intermediate Similarity 0.7725 NPC476138
Intermediate Similarity 0.7725 NPC245816
Intermediate Similarity 0.7718 NPC307963
Intermediate Similarity 0.7696 NPC470549
Intermediate Similarity 0.7685 NPC94157
Intermediate Similarity 0.7664 NPC476465
Intermediate Similarity 0.7661 NPC170114
Intermediate Similarity 0.7655 NPC101543
Intermediate Similarity 0.763 NPC232727
Intermediate Similarity 0.7604 NPC26679
Intermediate Similarity 0.7586 NPC284678
Intermediate Similarity 0.7569 NPC476287
Intermediate Similarity 0.756 NPC251090
Intermediate Similarity 0.7557 NPC193267
Intermediate Similarity 0.7557 NPC213530
Intermediate Similarity 0.7523 NPC132642
Intermediate Similarity 0.75 NPC475910
Intermediate Similarity 0.75 NPC288349
Intermediate Similarity 0.75 NPC329747
Intermediate Similarity 0.7478 NPC295228
Intermediate Similarity 0.7476 NPC13880
Intermediate Similarity 0.7465 NPC185782
Intermediate Similarity 0.7463 NPC150048
Intermediate Similarity 0.7463 NPC203754
Intermediate Similarity 0.7441 NPC267928
Intermediate Similarity 0.744 NPC242928
Intermediate Similarity 0.7421 NPC472027
Intermediate Similarity 0.7415 NPC471891
Intermediate Similarity 0.7409 NPC469592
Intermediate Similarity 0.7409 NPC471080
Intermediate Similarity 0.7406 NPC72211
Intermediate Similarity 0.7393 NPC70259
Intermediate Similarity 0.7387 NPC476041
Intermediate Similarity 0.7387 NPC304926
Intermediate Similarity 0.7383 NPC267423
Intermediate Similarity 0.738 NPC475253
Intermediate Similarity 0.7361 NPC470500
Intermediate Similarity 0.7352 NPC11464
Intermediate Similarity 0.7352 NPC5145
Intermediate Similarity 0.735 NPC81175
Intermediate Similarity 0.7346 NPC205934
Intermediate Similarity 0.7346 NPC43787
Intermediate Similarity 0.7342 NPC251936
Intermediate Similarity 0.7333 NPC310118
Intermediate Similarity 0.7333 NPC324149
Intermediate Similarity 0.733 NPC266931
Intermediate Similarity 0.733 NPC473757
Intermediate Similarity 0.7327 NPC472111
Intermediate Similarity 0.7324 NPC265576
Intermediate Similarity 0.7315 NPC475774
Intermediate Similarity 0.7315 NPC162484
Intermediate Similarity 0.7306 NPC473181
Intermediate Similarity 0.7302 NPC476044
Intermediate Similarity 0.7301 NPC280272
Intermediate Similarity 0.7289 NPC477533
Intermediate Similarity 0.7284 NPC24802
Intermediate Similarity 0.7282 NPC176127
Intermediate Similarity 0.7277 NPC469594
Intermediate Similarity 0.7273 NPC471304
Intermediate Similarity 0.7273 NPC199667
Intermediate Similarity 0.7265 NPC8022
Intermediate Similarity 0.7265 NPC470799
Intermediate Similarity 0.726 NPC171171
Intermediate Similarity 0.726 NPC287208
Intermediate Similarity 0.7256 NPC121772
Intermediate Similarity 0.7256 NPC249040
Intermediate Similarity 0.7251 NPC99666
Intermediate Similarity 0.7249 NPC6215
Intermediate Similarity 0.7249 NPC473185
Intermediate Similarity 0.7249 NPC110151
Intermediate Similarity 0.7248 NPC477113
Intermediate Similarity 0.7248 NPC476106
Intermediate Similarity 0.7217 NPC84853
Intermediate Similarity 0.7212 NPC472099
Intermediate Similarity 0.7209 NPC128823
Intermediate Similarity 0.7207 NPC473180
Intermediate Similarity 0.7202 NPC475070
Intermediate Similarity 0.7198 NPC48938
Intermediate Similarity 0.7198 NPC196718
Intermediate Similarity 0.7198 NPC102593
Intermediate Similarity 0.7198 NPC473186
Intermediate Similarity 0.7198 NPC220765
Intermediate Similarity 0.7189 NPC291535
Intermediate Similarity 0.7189 NPC475112
Intermediate Similarity 0.7189 NPC475085
Intermediate Similarity 0.7188 NPC477110
Intermediate Similarity 0.7182 NPC477111
Intermediate Similarity 0.7176 NPC315957
Intermediate Similarity 0.7168 NPC292958
Intermediate Similarity 0.7163 NPC84478
Intermediate Similarity 0.7163 NPC204717
Intermediate Similarity 0.7156 NPC95783
Intermediate Similarity 0.715 NPC474798
Intermediate Similarity 0.7149 NPC201697
Intermediate Similarity 0.7137 NPC39370
Intermediate Similarity 0.713 NPC476582
Intermediate Similarity 0.713 NPC4071
Intermediate Similarity 0.713 NPC476578
Intermediate Similarity 0.713 NPC287437
Intermediate Similarity 0.7129 NPC314002
Intermediate Similarity 0.7123 NPC470930
Intermediate Similarity 0.7122 NPC224764
Intermediate Similarity 0.7117 NPC290689
Intermediate Similarity 0.7116 NPC70956
Intermediate Similarity 0.7116 NPC243834
Intermediate Similarity 0.7111 NPC152768
Intermediate Similarity 0.7111 NPC148183
Intermediate Similarity 0.7105 NPC471506
Intermediate Similarity 0.7105 NPC60621
Intermediate Similarity 0.7104 NPC82548
Intermediate Similarity 0.7103 NPC131017
Intermediate Similarity 0.71 NPC476492
Intermediate Similarity 0.7098 NPC478074
Intermediate Similarity 0.7097 NPC11017
Intermediate Similarity 0.7091 NPC475288
Intermediate Similarity 0.7087 NPC184964
Intermediate Similarity 0.7083 NPC475666
Intermediate Similarity 0.7083 NPC192315
Intermediate Similarity 0.7082 NPC476451
Intermediate Similarity 0.7078 NPC223427
Intermediate Similarity 0.7072 NPC469589
Intermediate Similarity 0.707 NPC194967
Intermediate Similarity 0.7065 NPC102423
Intermediate Similarity 0.7065 NPC311276
Intermediate Similarity 0.7062 NPC46580
Intermediate Similarity 0.7059 NPC313189
Intermediate Similarity 0.7056 NPC198673
Intermediate Similarity 0.7056 NPC475190
Intermediate Similarity 0.7054 NPC316981
Intermediate Similarity 0.7053 NPC42979
Intermediate Similarity 0.7051 NPC49547
Intermediate Similarity 0.7051 NPC476167
Intermediate Similarity 0.7051 NPC187558
Intermediate Similarity 0.705 NPC131718
Intermediate Similarity 0.7048 NPC96321
Intermediate Similarity 0.7048 NPC473189
Intermediate Similarity 0.7045 NPC36229
Intermediate Similarity 0.7045 NPC476581
Intermediate Similarity 0.7045 NPC16452
Intermediate Similarity 0.7042 NPC81939
Intermediate Similarity 0.7037 NPC77555
Intermediate Similarity 0.7035 NPC26850
Intermediate Similarity 0.7031 NPC477532
Intermediate Similarity 0.7029 NPC477067
Intermediate Similarity 0.7029 NPC478082
Intermediate Similarity 0.7027 NPC314957
Intermediate Similarity 0.7026 NPC475258
Intermediate Similarity 0.7018 NPC234197
Intermediate Similarity 0.7018 NPC473179
Intermediate Similarity 0.7017 NPC477861
Intermediate Similarity 0.7013 NPC21638
Intermediate Similarity 0.7009 NPC260434
Intermediate Similarity 0.7005 NPC151939
Intermediate Similarity 0.7005 NPC168911
Intermediate Similarity 0.7004 NPC473183
Intermediate Similarity 0.7 NPC216612
Remote Similarity 0.6996 NPC26543
Remote Similarity 0.6996 NPC476116
Remote Similarity 0.6996 NPC174672
Remote Similarity 0.6996 NPC174758
Remote Similarity 0.6992 NPC53534
Remote Similarity 0.6983 NPC909
Remote Similarity 0.6983 NPC24370
Remote Similarity 0.6983 NPC319232
Remote Similarity 0.6983 NPC475338
Remote Similarity 0.6982 NPC135549
Remote Similarity 0.6982 NPC473362
Remote Similarity 0.6982 NPC166492
Remote Similarity 0.6978 NPC48353
Remote Similarity 0.6978 NPC53069
Remote Similarity 0.6978 NPC202768
Remote Similarity 0.6978 NPC296482
Remote Similarity 0.6977 NPC106937
Remote Similarity 0.6975 NPC41679
Remote Similarity 0.6974 NPC473041
Remote Similarity 0.6972 NPC32200
Remote Similarity 0.6971 NPC472434
Remote Similarity 0.697 NPC26872
Remote Similarity 0.697 NPC122436
Remote Similarity 0.696 NPC152620
Remote Similarity 0.696 NPC183407

Drug Structure

External Identifiers

TTD   DIB011219
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  320.16
ALogP  -1.459
MLogP  3
XLogP  3.2
HDA  4
HBD  1
Rotatable Bonds  3
TPSA  54.04
RO5 Violation  0