Drug Information

Drug ID:  NPD1032
Drug Name:  Azd0328
Molecular Formula:  C13H16N2O
Canonical SMILES:  c1cnc2c(c1)C[C@]1(O2)CN2CCC1CC2
Standard InCHI:  InChI=1S/C13H16N2O/c1-2-10-8-13(16-12(10)14-5-1)9-15-6-3-11(13)4-7-15/h1-2,5,11H,3-4,6-9H2/t13-/m0/s1
Standard InCHIKey:  OCKIPDMKGPYYJS-ZDUSSCGKSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1032

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
Intermediate Similarity 0.7749 NPC165349
Intermediate Similarity 0.7749 NPC274291
Intermediate Similarity 0.7749 NPC264166
Intermediate Similarity 0.7749 NPC329708
Intermediate Similarity 0.7749 NPC47059
Intermediate Similarity 0.7749 NPC118832
Intermediate Similarity 0.7722 NPC470474
Intermediate Similarity 0.7701 NPC471178
Intermediate Similarity 0.7688 NPC289786
Intermediate Similarity 0.7644 NPC97367
Intermediate Similarity 0.7586 NPC471177
Intermediate Similarity 0.7586 NPC59779
Intermediate Similarity 0.7586 NPC124542
Intermediate Similarity 0.7581 NPC92111
Intermediate Similarity 0.7579 NPC287437
Intermediate Similarity 0.7551 NPC290689
Intermediate Similarity 0.754 NPC195268
Intermediate Similarity 0.754 NPC133140
Intermediate Similarity 0.7527 NPC76748
Intermediate Similarity 0.75 NPC150048
Intermediate Similarity 0.75 NPC203754
Intermediate Similarity 0.7487 NPC4071
Intermediate Similarity 0.7487 NPC476582
Intermediate Similarity 0.7487 NPC476578
Intermediate Similarity 0.7474 NPC267928
Intermediate Similarity 0.7473 NPC296527
Intermediate Similarity 0.7448 NPC477019
Intermediate Similarity 0.7446 NPC284559
Intermediate Similarity 0.7423 NPC475774
Intermediate Similarity 0.7421 NPC473053
Intermediate Similarity 0.7407 NPC307963
Intermediate Similarity 0.7398 NPC313189
Intermediate Similarity 0.7385 NPC16452
Intermediate Similarity 0.7385 NPC36229
Intermediate Similarity 0.7385 NPC476581
Intermediate Similarity 0.736 NPC108469
Intermediate Similarity 0.7358 NPC176538
Intermediate Similarity 0.7358 NPC234197
Intermediate Similarity 0.7358 NPC19872
Intermediate Similarity 0.7347 NPC470164
Intermediate Similarity 0.7347 NPC472111
Intermediate Similarity 0.7347 NPC323345
Intermediate Similarity 0.7345 NPC473057
Intermediate Similarity 0.7333 NPC476138
Intermediate Similarity 0.7333 NPC245816
Intermediate Similarity 0.731 NPC135549
Intermediate Similarity 0.73 NPC296482
Intermediate Similarity 0.73 NPC202768
Intermediate Similarity 0.73 NPC53069
Intermediate Similarity 0.7296 NPC285558
Intermediate Similarity 0.7288 NPC177404
Intermediate Similarity 0.7278 NPC476518
Intermediate Similarity 0.7273 NPC287208
Intermediate Similarity 0.7273 NPC82548
Intermediate Similarity 0.7268 NPC329793
Intermediate Similarity 0.7264 NPC476287
Intermediate Similarity 0.7238 NPC14651
Intermediate Similarity 0.7238 NPC121658
Intermediate Similarity 0.7235 NPC471323
Intermediate Similarity 0.7231 NPC31930
Intermediate Similarity 0.7231 NPC232727
Intermediate Similarity 0.7225 NPC314954
Intermediate Similarity 0.7214 NPC96405
Intermediate Similarity 0.7214 NPC171409
Intermediate Similarity 0.72 NPC167860
Intermediate Similarity 0.72 NPC123976
Intermediate Similarity 0.7198 NPC111624
Intermediate Similarity 0.7175 NPC84508
Intermediate Similarity 0.7164 NPC208284
Intermediate Similarity 0.7151 NPC266551
Intermediate Similarity 0.7151 NPC161887
Intermediate Similarity 0.7151 NPC219963
Intermediate Similarity 0.715 NPC251090
Intermediate Similarity 0.715 NPC13880
Intermediate Similarity 0.715 NPC174758
Intermediate Similarity 0.715 NPC469589
Intermediate Similarity 0.715 NPC174672
Intermediate Similarity 0.7143 NPC26872
Intermediate Similarity 0.7135 NPC198673
Intermediate Similarity 0.7135 NPC103230
Intermediate Similarity 0.7129 NPC202605
Intermediate Similarity 0.7129 NPC112206
Intermediate Similarity 0.7128 NPC20249
Intermediate Similarity 0.7092 NPC11017
Intermediate Similarity 0.7092 NPC315957
Intermediate Similarity 0.7081 NPC211997
Intermediate Similarity 0.7065 NPC185782
Intermediate Similarity 0.7056 NPC118511
Intermediate Similarity 0.7047 NPC279401
Intermediate Similarity 0.7047 NPC79293
Intermediate Similarity 0.7047 NPC329541
Intermediate Similarity 0.7044 NPC472098
Intermediate Similarity 0.7044 NPC26679
Intermediate Similarity 0.7044 NPC251160
Intermediate Similarity 0.7041 NPC123395
Intermediate Similarity 0.7027 NPC288943
Intermediate Similarity 0.7027 NPC134586
Intermediate Similarity 0.7022 NPC138018
Intermediate Similarity 0.7022 NPC26850
Intermediate Similarity 0.7021 NPC176127
Intermediate Similarity 0.7011 NPC471294
Intermediate Similarity 0.701 NPC162530
Intermediate Similarity 0.7009 NPC180504
Intermediate Similarity 0.7005 NPC193267
Intermediate Similarity 0.7005 NPC213530
Intermediate Similarity 0.7005 NPC329747
Intermediate Similarity 0.7 NPC171171
Remote Similarity 0.699 NPC239954
Remote Similarity 0.699 NPC168911
Remote Similarity 0.6988 NPC324611
Remote Similarity 0.6984 NPC284678
Remote Similarity 0.6978 NPC98187
Remote Similarity 0.6963 NPC469554
Remote Similarity 0.6963 NPC101543
Remote Similarity 0.6961 NPC474217
Remote Similarity 0.6961 NPC264176
Remote Similarity 0.6951 NPC212125
Remote Similarity 0.695 NPC289086
Remote Similarity 0.6944 NPC295228
Remote Similarity 0.6942 NPC274982
Remote Similarity 0.6939 NPC224928
Remote Similarity 0.6938 NPC310118
Remote Similarity 0.6931 NPC476465
Remote Similarity 0.6931 NPC475910
Remote Similarity 0.6931 NPC220765
Remote Similarity 0.6928 NPC69914
Remote Similarity 0.6927 NPC469592
Remote Similarity 0.6927 NPC471080
Remote Similarity 0.6916 NPC201508
Remote Similarity 0.6909 NPC75179
Remote Similarity 0.6908 NPC473513
Remote Similarity 0.6906 NPC71079
Remote Similarity 0.6902 NPC314940
Remote Similarity 0.6902 NPC473764
Remote Similarity 0.6898 NPC283152
Remote Similarity 0.6895 NPC204717
Remote Similarity 0.6895 NPC84478
Remote Similarity 0.6893 NPC470549
Remote Similarity 0.6891 NPC134079
Remote Similarity 0.689 NPC472099
Remote Similarity 0.6881 NPC475835
Remote Similarity 0.6875 NPC469594
Remote Similarity 0.6875 NPC66083
Remote Similarity 0.6875 NPC473822
Remote Similarity 0.6875 NPC173080
Remote Similarity 0.6872 NPC226202
Remote Similarity 0.6868 NPC263439
Remote Similarity 0.6868 NPC469813
Remote Similarity 0.6868 NPC78375
Remote Similarity 0.6868 NPC476446
Remote Similarity 0.6867 NPC476131
Remote Similarity 0.6862 NPC472168
Remote Similarity 0.686 NPC470799
Remote Similarity 0.686 NPC170114
Remote Similarity 0.686 NPC8022
Remote Similarity 0.6859 NPC314002
Remote Similarity 0.6859 NPC62510
Remote Similarity 0.6852 NPC329825
Remote Similarity 0.6852 NPC255800
Remote Similarity 0.6852 NPC96584
Remote Similarity 0.6848 NPC471313
Remote Similarity 0.6848 NPC471311
Remote Similarity 0.6848 NPC306397
Remote Similarity 0.6847 NPC470931
Remote Similarity 0.6845 NPC271215
Remote Similarity 0.6845 NPC266931
Remote Similarity 0.6845 NPC149471
Remote Similarity 0.6845 NPC236668
Remote Similarity 0.6837 NPC43787
Remote Similarity 0.6837 NPC205934
Remote Similarity 0.6834 NPC121772
Remote Similarity 0.6832 NPC475841
Remote Similarity 0.6832 NPC474145
Remote Similarity 0.6827 NPC304926
Remote Similarity 0.6827 NPC476041
Remote Similarity 0.6825 NPC216612
Remote Similarity 0.6825 NPC168486
Remote Similarity 0.6825 NPC222592
Remote Similarity 0.6824 NPC29702
Remote Similarity 0.6821 NPC99666
Remote Similarity 0.6818 NPC127085
Remote Similarity 0.6812 NPC146976
Remote Similarity 0.6804 NPC3715
Remote Similarity 0.6802 NPC70259
Remote Similarity 0.68 NPC476044
Remote Similarity 0.68 NPC267423
Remote Similarity 0.6796 NPC94157
Remote Similarity 0.6794 NPC314270
Remote Similarity 0.6793 NPC278366
Remote Similarity 0.6793 NPC127730
Remote Similarity 0.6791 NPC312872
Remote Similarity 0.6788 NPC206251
Remote Similarity 0.6788 NPC74382
Remote Similarity 0.6788 NPC46580
Remote Similarity 0.6786 NPC84853
Remote Similarity 0.6782 NPC475070
Remote Similarity 0.678 NPC188420
Remote Similarity 0.678 NPC471304
Remote Similarity 0.678 NPC470020
Remote Similarity 0.678 NPC11464

Drug Structure

External Identifiers

TTD   DCL000450
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   9794392
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  216.13
ALogP  -0.9519
MLogP  2.56
XLogP  1.705
HDA  2
HBD  0
Rotatable Bonds  0
TPSA  25.36
RO5 Violation  0