Drug Information

Drug ID:  NPD1229
Drug Name:  Cicletanine
Molecular Formula:  C14H12ClNO2
Canonical SMILES:  Clc1ccc(cc1)C1OCc2c1cnc(c2O)C
Standard InCHI:  InChI=1S/C14H12ClNO2/c1-8-13(17)12-7-18-14(11(12)6-16-8)9-2-4-10(15)5-3-9/h2-6,14,17H,7H2,1H3
Standard InCHIKey:  CVKNDPRBJVBDSS-UHFFFAOYSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1229

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 0.8457 NPC263439
Intermediate Similarity 0.8229 NPC269919
Intermediate Similarity 0.8229 NPC132680
Intermediate Similarity 0.8114 NPC63562
Intermediate Similarity 0.7933 NPC324203
Intermediate Similarity 0.7933 NPC322976
Intermediate Similarity 0.7933 NPC63338
Intermediate Similarity 0.7845 NPC211187
Intermediate Similarity 0.7676 NPC256828
Intermediate Similarity 0.7629 NPC3715
Intermediate Similarity 0.7552 NPC320394
Intermediate Similarity 0.754 NPC252590
Intermediate Similarity 0.75 NPC300114
Intermediate Similarity 0.7487 NPC473764
Intermediate Similarity 0.7487 NPC224928
Intermediate Similarity 0.7487 NPC314940
Intermediate Similarity 0.7464 NPC8022
Intermediate Similarity 0.7464 NPC470799
Intermediate Similarity 0.7396 NPC52831
Intermediate Similarity 0.7396 NPC325705
Intermediate Similarity 0.7366 NPC473057
Intermediate Similarity 0.7358 NPC470474
Intermediate Similarity 0.735 NPC473053
Intermediate Similarity 0.7333 NPC42591
Intermediate Similarity 0.733 NPC177056
Intermediate Similarity 0.7327 NPC476167
Intermediate Similarity 0.7313 NPC267928
Intermediate Similarity 0.7308 NPC153769
Intermediate Similarity 0.7277 NPC192315
Intermediate Similarity 0.7268 NPC475774
Intermediate Similarity 0.7264 NPC251090
Intermediate Similarity 0.725 NPC289786
Intermediate Similarity 0.7245 NPC62510
Intermediate Similarity 0.7234 NPC471178
Intermediate Similarity 0.723 NPC314270
Intermediate Similarity 0.7225 NPC5145
Intermediate Similarity 0.7217 NPC477110
Intermediate Similarity 0.7202 NPC283152
Intermediate Similarity 0.7202 NPC211997
Intermediate Similarity 0.7196 NPC315804
Intermediate Similarity 0.7196 NPC313804
Intermediate Similarity 0.7196 NPC108469
Intermediate Similarity 0.7182 NPC220523
Intermediate Similarity 0.7179 NPC219963
Intermediate Similarity 0.7177 NPC185782
Intermediate Similarity 0.7172 NPC46580
Intermediate Similarity 0.7172 NPC36498
Intermediate Similarity 0.7167 NPC471598
Intermediate Similarity 0.7164 NPC279401
Intermediate Similarity 0.7164 NPC79293
Intermediate Similarity 0.7157 NPC314002
Intermediate Similarity 0.7156 NPC26679
Intermediate Similarity 0.715 NPC47059
Intermediate Similarity 0.715 NPC118832
Intermediate Similarity 0.715 NPC134586
Intermediate Similarity 0.715 NPC194724
Intermediate Similarity 0.715 NPC165349
Intermediate Similarity 0.715 NPC329708
Intermediate Similarity 0.715 NPC274291
Intermediate Similarity 0.715 NPC264166
Intermediate Similarity 0.7136 NPC470678
Intermediate Similarity 0.7128 NPC478032
Intermediate Similarity 0.7122 NPC19872
Intermediate Similarity 0.7114 NPC133140
Intermediate Similarity 0.7114 NPC195268
Intermediate Similarity 0.7107 NPC204717
Intermediate Similarity 0.7107 NPC207851
Intermediate Similarity 0.7101 NPC476138
Intermediate Similarity 0.7101 NPC245816
Intermediate Similarity 0.7092 NPC266551
Intermediate Similarity 0.7092 NPC161887
Intermediate Similarity 0.709 NPC97367
Intermediate Similarity 0.7088 NPC161292
Intermediate Similarity 0.7085 NPC66083
Intermediate Similarity 0.7079 NPC307963
Intermediate Similarity 0.707 NPC173080
Intermediate Similarity 0.707 NPC473822
Intermediate Similarity 0.7068 NPC44161
Intermediate Similarity 0.7067 NPC470500
Intermediate Similarity 0.7065 NPC469390
Intermediate Similarity 0.7062 NPC288943
Intermediate Similarity 0.7056 NPC220765
Intermediate Similarity 0.7039 NPC280853
Intermediate Similarity 0.7039 NPC477019
Intermediate Similarity 0.7037 NPC124542
Intermediate Similarity 0.7037 NPC471177
Intermediate Similarity 0.7037 NPC59779
Intermediate Similarity 0.7037 NPC177404
Intermediate Similarity 0.7035 NPC171171
Intermediate Similarity 0.7033 NPC472111
Intermediate Similarity 0.702 NPC62069
Intermediate Similarity 0.702 NPC284559
Intermediate Similarity 0.7019 NPC317572
Intermediate Similarity 0.7017 NPC470394
Intermediate Similarity 0.7017 NPC470404
Intermediate Similarity 0.7017 NPC470403
Intermediate Similarity 0.7014 NPC469589
Intermediate Similarity 0.7 NPC245657
Intermediate Similarity 0.7 NPC285016
Remote Similarity 0.6995 NPC329541
Remote Similarity 0.6995 NPC112206
Remote Similarity 0.6995 NPC158129
Remote Similarity 0.6995 NPC202605
Remote Similarity 0.6995 NPC226202
Remote Similarity 0.6983 NPC471596
Remote Similarity 0.6981 NPC11464
Remote Similarity 0.6977 NPC288349
Remote Similarity 0.6974 NPC203754
Remote Similarity 0.6974 NPC150048
Remote Similarity 0.6967 NPC477111
Remote Similarity 0.6967 NPC287208
Remote Similarity 0.6965 NPC296527
Remote Similarity 0.6959 NPC213530
Remote Similarity 0.6959 NPC193267
Remote Similarity 0.6957 NPC234197
Remote Similarity 0.6957 NPC176538
Remote Similarity 0.6946 NPC99666
Remote Similarity 0.694 NPC470395
Remote Similarity 0.6939 NPC184964
Remote Similarity 0.6935 NPC284678
Remote Similarity 0.6931 NPC76748
Remote Similarity 0.6927 NPC174049
Remote Similarity 0.6923 NPC232727
Remote Similarity 0.6919 NPC316403
Remote Similarity 0.6916 NPC203168
Remote Similarity 0.6908 NPC128823
Remote Similarity 0.6908 NPC287437
Remote Similarity 0.6904 NPC149402
Remote Similarity 0.6901 NPC219664
Remote Similarity 0.6897 NPC92111
Remote Similarity 0.6895 NPC25899
Remote Similarity 0.6892 NPC244536
Remote Similarity 0.689 NPC211813
Remote Similarity 0.689 NPC66815
Remote Similarity 0.6887 NPC18348
Remote Similarity 0.6884 NPC48938
Remote Similarity 0.6884 NPC476287
Remote Similarity 0.6881 NPC44354
Remote Similarity 0.6878 NPC138018
Remote Similarity 0.6872 NPC477113
Remote Similarity 0.6872 NPC472286
Remote Similarity 0.6872 NPC475841
Remote Similarity 0.6872 NPC474145
Remote Similarity 0.6872 NPC472287
Remote Similarity 0.6866 NPC61350
Remote Similarity 0.6863 NPC114335
Remote Similarity 0.6863 NPC141915
Remote Similarity 0.6863 NPC280964
Remote Similarity 0.686 NPC239954
Remote Similarity 0.6857 NPC53144
Remote Similarity 0.6857 NPC200836
Remote Similarity 0.6853 NPC96890
Remote Similarity 0.6845 NPC13880
Remote Similarity 0.6845 NPC242209
Remote Similarity 0.6842 NPC31930
Remote Similarity 0.684 NPC474595
Remote Similarity 0.6837 NPC316981
Remote Similarity 0.6835 NPC204446
Remote Similarity 0.6829 NPC198673
Remote Similarity 0.6827 NPC476582
Remote Similarity 0.6827 NPC476578
Remote Similarity 0.6827 NPC4071
Remote Similarity 0.6825 NPC36229
Remote Similarity 0.6825 NPC137929
Remote Similarity 0.6825 NPC472259
Remote Similarity 0.6825 NPC285558
Remote Similarity 0.6825 NPC16452
Remote Similarity 0.6825 NPC476581
Remote Similarity 0.6825 NPC475070
Remote Similarity 0.6825 NPC164374
Remote Similarity 0.6823 NPC102423
Remote Similarity 0.6823 NPC118511
Remote Similarity 0.6818 NPC472168
Remote Similarity 0.6818 NPC310118
Remote Similarity 0.6818 NPC42979
Remote Similarity 0.6816 NPC20249
Remote Similarity 0.6816 NPC186351
Remote Similarity 0.6812 NPC77555
Remote Similarity 0.6812 NPC156704
Remote Similarity 0.6808 NPC82548
Remote Similarity 0.6806 NPC266931
Remote Similarity 0.6806 NPC469592
Remote Similarity 0.6806 NPC471080
Remote Similarity 0.6802 NPC224764
Remote Similarity 0.68 NPC133306
Remote Similarity 0.6796 NPC471594
Remote Similarity 0.6793 NPC471323
Remote Similarity 0.6792 NPC470164
Remote Similarity 0.6792 NPC304183
Remote Similarity 0.6792 NPC323345
Remote Similarity 0.6789 NPC116573
Remote Similarity 0.6789 NPC314552
Remote Similarity 0.6787 NPC118121
Remote Similarity 0.6787 NPC122463
Remote Similarity 0.6786 NPC471294
Remote Similarity 0.6786 NPC476997
Remote Similarity 0.6784 NPC182222
Remote Similarity 0.6782 NPC194040
Remote Similarity 0.6779 NPC212213
Remote Similarity 0.6776 NPC174758

Drug Structure

External Identifiers

TTD   DNCL001862
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   54910
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  261.06
ALogP  0.5306
MLogP  2.56
XLogP  2.32
HDA  2
HBD  1
Rotatable Bonds  4
TPSA  42.35
RO5 Violation  0