Drug Information

Drug ID:  NPD565
Drug Name:  Pozanicline
Molecular Formula:  C11H16N2O
Canonical SMILES:  Cc1ncccc1OC[C@@H]1CCCN1
Standard InCHI:  InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1
Standard InCHIKey:  YRVIKLBSVVNSHF-JTQLQIEISA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD565

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 0.8 NPC84853
Intermediate Similarity 0.7838 NPC19872
Intermediate Similarity 0.7784 NPC187558
Intermediate Similarity 0.774 NPC161887
Intermediate Similarity 0.7735 NPC76748
Intermediate Similarity 0.7709 NPC20249
Intermediate Similarity 0.7692 NPC92111
Intermediate Similarity 0.7683 NPC220523
Intermediate Similarity 0.768 NPC296527
Intermediate Similarity 0.764 NPC219963
Intermediate Similarity 0.7619 NPC245816
Intermediate Similarity 0.7619 NPC476138
Intermediate Similarity 0.7609 NPC307963
Intermediate Similarity 0.7586 NPC476518
Intermediate Similarity 0.7581 NPC267928
Intermediate Similarity 0.7543 NPC14651
Intermediate Similarity 0.7543 NPC121658
Intermediate Similarity 0.7542 NPC266551
Intermediate Similarity 0.7514 NPC226202
Intermediate Similarity 0.75 NPC111624
Intermediate Similarity 0.7469 NPC104049
Intermediate Similarity 0.7462 NPC288349
Intermediate Similarity 0.7449 NPC476287
Intermediate Similarity 0.7433 NPC13880
Intermediate Similarity 0.7433 NPC251090
Intermediate Similarity 0.7427 NPC180504
Intermediate Similarity 0.7421 NPC174421
Intermediate Similarity 0.7398 NPC26679
Intermediate Similarity 0.7368 NPC176538
Intermediate Similarity 0.7368 NPC315957
Intermediate Similarity 0.7348 NPC118776
Intermediate Similarity 0.7341 NPC324203
Intermediate Similarity 0.7341 NPC63338
Intermediate Similarity 0.7341 NPC322976
Intermediate Similarity 0.7333 NPC185782
Intermediate Similarity 0.7277 NPC121772
Intermediate Similarity 0.7273 NPC318935
Intermediate Similarity 0.7258 NPC134079
Intermediate Similarity 0.7257 NPC263439
Intermediate Similarity 0.7254 NPC475774
Intermediate Similarity 0.724 NPC232727
Intermediate Similarity 0.7232 NPC1527
Intermediate Similarity 0.7222 NPC224764
Intermediate Similarity 0.7216 NPC285558
Intermediate Similarity 0.7194 NPC287208
Intermediate Similarity 0.7186 NPC470403
Intermediate Similarity 0.7186 NPC470394
Intermediate Similarity 0.7186 NPC470404
Intermediate Similarity 0.7159 NPC118511
Intermediate Similarity 0.715 NPC314954
Intermediate Similarity 0.7143 NPC42979
Intermediate Similarity 0.7114 NPC470799
Intermediate Similarity 0.7114 NPC8022
Intermediate Similarity 0.7112 NPC110741
Intermediate Similarity 0.711 NPC63562
Intermediate Similarity 0.7107 NPC476465
Intermediate Similarity 0.7102 NPC177404
Intermediate Similarity 0.7101 NPC470395
Intermediate Similarity 0.7095 NPC256828
Intermediate Similarity 0.7085 NPC208284
Intermediate Similarity 0.7081 NPC284678
Intermediate Similarity 0.7059 NPC74382
Intermediate Similarity 0.7059 NPC206251
Intermediate Similarity 0.7048 NPC469554
Intermediate Similarity 0.7044 NPC151489
Intermediate Similarity 0.703 NPC328029
Intermediate Similarity 0.7029 NPC132680
Intermediate Similarity 0.7029 NPC269919
Intermediate Similarity 0.7027 NPC176127
Intermediate Similarity 0.7021 NPC242928
Intermediate Similarity 0.7021 NPC224327
Intermediate Similarity 0.7015 NPC162530
Intermediate Similarity 0.7011 NPC477815
Intermediate Similarity 0.701 NPC292958
Intermediate Similarity 0.7005 NPC171171
Intermediate Similarity 0.7 NPC133140
Intermediate Similarity 0.7 NPC195268
Remote Similarity 0.6989 NPC204717
Remote Similarity 0.698 NPC153452
Remote Similarity 0.697 NPC316403
Remote Similarity 0.6967 NPC102593
Remote Similarity 0.6967 NPC196718
Remote Similarity 0.6967 NPC101543
Remote Similarity 0.6954 NPC47059
Remote Similarity 0.6954 NPC274291
Remote Similarity 0.6954 NPC118832
Remote Similarity 0.6954 NPC264166
Remote Similarity 0.6954 NPC165349
Remote Similarity 0.6954 NPC329708
Remote Similarity 0.6954 NPC26872
Remote Similarity 0.6952 NPC314002
Remote Similarity 0.695 NPC167860
Remote Similarity 0.695 NPC123976
Remote Similarity 0.6949 NPC285635
Remote Similarity 0.6949 NPC25899
Remote Similarity 0.6941 NPC471323
Remote Similarity 0.6935 NPC220765
Remote Similarity 0.6931 NPC266931
Remote Similarity 0.6927 NPC168209
Remote Similarity 0.6923 NPC329793
Remote Similarity 0.6902 NPC184964
Remote Similarity 0.6898 NPC84478
Remote Similarity 0.6897 NPC470549
Remote Similarity 0.6897 NPC284348
Remote Similarity 0.6891 NPC77061
Remote Similarity 0.6882 NPC474798
Remote Similarity 0.6881 NPC94157
Remote Similarity 0.6881 NPC316981
Remote Similarity 0.6878 NPC197141
Remote Similarity 0.6872 NPC211187
Remote Similarity 0.6872 NPC18487
Remote Similarity 0.6872 NPC287437
Remote Similarity 0.6872 NPC476167
Remote Similarity 0.6863 NPC170114
Remote Similarity 0.6837 NPC329747
Remote Similarity 0.6837 NPC477019
Remote Similarity 0.6836 NPC138018
Remote Similarity 0.6827 NPC175150
Remote Similarity 0.6827 NPC243633
Remote Similarity 0.6821 NPC192315
Remote Similarity 0.6821 NPC257142
Remote Similarity 0.6818 NPC75135
Remote Similarity 0.6816 NPC48192
Remote Similarity 0.6813 NPC473764
Remote Similarity 0.6813 NPC314940
Remote Similarity 0.6811 NPC96890
Remote Similarity 0.6809 NPC284559
Remote Similarity 0.6789 NPC46580
Remote Similarity 0.6788 NPC289786
Remote Similarity 0.6788 NPC106937
Remote Similarity 0.6786 NPC128823
Remote Similarity 0.6782 NPC290689
Remote Similarity 0.678 NPC169586
Remote Similarity 0.6779 NPC90019
Remote Similarity 0.6779 NPC310118
Remote Similarity 0.6776 NPC253810
Remote Similarity 0.6774 NPC141377
Remote Similarity 0.6766 NPC82548
Remote Similarity 0.6765 NPC469592
Remote Similarity 0.6765 NPC471080
Remote Similarity 0.6763 NPC193267
Remote Similarity 0.6763 NPC213530
Remote Similarity 0.6751 NPC234197
Remote Similarity 0.6742 NPC26850
Remote Similarity 0.6742 NPC116573
Remote Similarity 0.6742 NPC212742
Remote Similarity 0.6736 NPC99666
Remote Similarity 0.6733 NPC174672
Remote Similarity 0.6731 NPC132642
Remote Similarity 0.672 NPC283152
Remote Similarity 0.6715 NPC314270
Remote Similarity 0.6701 NPC103361
Remote Similarity 0.6701 NPC476578
Remote Similarity 0.6701 NPC4071
Remote Similarity 0.6701 NPC476582
Remote Similarity 0.6701 NPC475190
Remote Similarity 0.67 NPC5145
Remote Similarity 0.67 NPC11464
Remote Similarity 0.6699 NPC60621
Remote Similarity 0.6698 NPC244536
Remote Similarity 0.6698 NPC110151
Remote Similarity 0.6685 NPC102423
Remote Similarity 0.6685 NPC78375
Remote Similarity 0.6685 NPC476446
Remote Similarity 0.6685 NPC469813
Remote Similarity 0.6685 NPC258773
Remote Similarity 0.6684 NPC42591
Remote Similarity 0.6683 NPC475910
Remote Similarity 0.6682 NPC212766
Remote Similarity 0.6682 NPC289423
Remote Similarity 0.6682 NPC260434
Remote Similarity 0.6682 NPC316224
Remote Similarity 0.6667 NPC24802
Remote Similarity 0.6667 NPC471736
Remote Similarity 0.6667 NPC323345
Remote Similarity 0.6667 NPC131718
Remote Similarity 0.6667 NPC27740
Remote Similarity 0.6667 NPC470164
Remote Similarity 0.6667 NPC135950
Remote Similarity 0.6667 NPC472111
Remote Similarity 0.6667 NPC194724
Remote Similarity 0.6651 NPC472099
Remote Similarity 0.665 NPC174758
Remote Similarity 0.665 NPC469589
Remote Similarity 0.6649 NPC168486
Remote Similarity 0.6649 NPC324149
Remote Similarity 0.6649 NPC222592
Remote Similarity 0.6649 NPC313791
Remote Similarity 0.6646 NPC306397
Remote Similarity 0.6646 NPC212125
Remote Similarity 0.6635 NPC469594
Remote Similarity 0.6634 NPC313189
Remote Similarity 0.6633 NPC194967
Remote Similarity 0.6632 NPC3715
Remote Similarity 0.6631 NPC211997
Remote Similarity 0.663 NPC59779
Remote Similarity 0.663 NPC471177
Remote Similarity 0.663 NPC124542
Remote Similarity 0.6618 NPC471304
Remote Similarity 0.6617 NPC470500

Drug Structure

External Identifiers

TTD   DCL000675
DrugBank   DB05458
ChEMBL   CHEMBL127071
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   178052
ChEBI  
CAS Number  161417-03-4

Drug Properties

Molecular Weight  192.13
ALogP  -0.7382
MLogP  2.34
XLogP  1.61
HDA  2
HBD  1
Rotatable Bonds  4
TPSA  34.15
RO5 Violation  0