Drug Information

Drug ID:  NPD4368
Drug Name:  Radiprodil
Molecular Formula:  C21H20FN3O4
Canonical SMILES:  Fc1ccc(cc1)CC1CCN(CC1)C(=O)C(=O)Nc1ccc2c(c1)oc(n2)O
Standard InCHI:  InChI=1S/C21H20FN3O4/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)
Standard InCHIKey:  GKGRZLGAQZPEHO-UHFFFAOYSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4368

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 0.7792 NPC194740
Intermediate Similarity 0.7719 NPC323969
Intermediate Similarity 0.7564 NPC66777
Intermediate Similarity 0.7564 NPC471762
Intermediate Similarity 0.7522 NPC288987
Intermediate Similarity 0.7512 NPC286195
Intermediate Similarity 0.75 NPC260434
Intermediate Similarity 0.7469 NPC165964
Intermediate Similarity 0.7468 NPC196718
Intermediate Similarity 0.7468 NPC102593
Intermediate Similarity 0.7467 NPC152768
Intermediate Similarity 0.7467 NPC148183
Intermediate Similarity 0.7459 NPC161801
Intermediate Similarity 0.7447 NPC257851
Intermediate Similarity 0.7435 NPC305984
Intermediate Similarity 0.7403 NPC303658
Intermediate Similarity 0.7397 NPC148889
Intermediate Similarity 0.7391 NPC322064
Intermediate Similarity 0.7344 NPC184680
Intermediate Similarity 0.732 NPC53534
Intermediate Similarity 0.7319 NPC122436
Intermediate Similarity 0.7314 NPC101350
Intermediate Similarity 0.7314 NPC470785
Intermediate Similarity 0.7309 NPC244543
Intermediate Similarity 0.73 NPC157931
Intermediate Similarity 0.7293 NPC146418
Intermediate Similarity 0.7291 NPC258048
Intermediate Similarity 0.7283 NPC152620
Intermediate Similarity 0.7277 NPC220851
Intermediate Similarity 0.7273 NPC235685
Intermediate Similarity 0.7253 NPC184408
Intermediate Similarity 0.7246 NPC314633
Intermediate Similarity 0.7243 NPC470784
Intermediate Similarity 0.7232 NPC207620
Intermediate Similarity 0.7229 NPC39500
Intermediate Similarity 0.7224 NPC196449
Intermediate Similarity 0.7224 NPC314222
Intermediate Similarity 0.7222 NPC208084
Intermediate Similarity 0.722 NPC329631
Intermediate Similarity 0.7215 NPC21638
Intermediate Similarity 0.7211 NPC303374
Intermediate Similarity 0.7206 NPC169716
Intermediate Similarity 0.72 NPC471944
Intermediate Similarity 0.7198 NPC477979
Intermediate Similarity 0.7197 NPC274640
Intermediate Similarity 0.7181 NPC132539
Intermediate Similarity 0.7179 NPC473041
Intermediate Similarity 0.7168 NPC295898
Intermediate Similarity 0.7155 NPC478078
Intermediate Similarity 0.7154 NPC124300
Intermediate Similarity 0.7149 NPC91868
Intermediate Similarity 0.7149 NPC63971
Intermediate Similarity 0.7143 NPC87413
Intermediate Similarity 0.7143 NPC179287
Intermediate Similarity 0.7143 NPC477586
Intermediate Similarity 0.7143 NPC477590
Intermediate Similarity 0.7143 NPC477585
Intermediate Similarity 0.7143 NPC477588
Intermediate Similarity 0.7131 NPC144452
Intermediate Similarity 0.7126 NPC291609
Intermediate Similarity 0.7119 NPC128115
Intermediate Similarity 0.7119 NPC472099
Intermediate Similarity 0.7119 NPC39370
Intermediate Similarity 0.7118 NPC321428
Intermediate Similarity 0.7118 NPC270918
Intermediate Similarity 0.7118 NPC4687
Intermediate Similarity 0.7107 NPC473186
Intermediate Similarity 0.7092 NPC67401
Intermediate Similarity 0.7082 NPC250448
Intermediate Similarity 0.7072 NPC469961
Intermediate Similarity 0.7069 NPC187501
Intermediate Similarity 0.7068 NPC310618
Intermediate Similarity 0.7066 NPC474688
Intermediate Similarity 0.7061 NPC477589
Intermediate Similarity 0.7061 NPC477587
Intermediate Similarity 0.7059 NPC478141
Intermediate Similarity 0.7056 NPC316224
Intermediate Similarity 0.7054 NPC311906
Intermediate Similarity 0.7049 NPC182222
Intermediate Similarity 0.7048 NPC470586
Intermediate Similarity 0.7045 NPC475844
Intermediate Similarity 0.7039 NPC264176
Intermediate Similarity 0.7031 NPC472259
Intermediate Similarity 0.7004 NPC475816
Remote Similarity 0.6992 NPC169402
Remote Similarity 0.6992 NPC312645
Remote Similarity 0.6987 NPC317572
Remote Similarity 0.6984 NPC26543
Remote Similarity 0.6979 NPC118228
Remote Similarity 0.6975 NPC174760
Remote Similarity 0.6975 NPC225279
Remote Similarity 0.697 NPC249583
Remote Similarity 0.6967 NPC49547
Remote Similarity 0.6964 NPC474183
Remote Similarity 0.6962 NPC131885
Remote Similarity 0.6962 NPC96321
Remote Similarity 0.696 NPC220408
Remote Similarity 0.696 NPC208522
Remote Similarity 0.6946 NPC60621
Remote Similarity 0.694 NPC287208
Remote Similarity 0.694 NPC39679
Remote Similarity 0.6939 NPC473105
Remote Similarity 0.6936 NPC89508
Remote Similarity 0.6935 NPC41501
Remote Similarity 0.6926 NPC472286
Remote Similarity 0.6926 NPC472287
Remote Similarity 0.6923 NPC240384
Remote Similarity 0.6914 NPC478083
Remote Similarity 0.6907 NPC50562
Remote Similarity 0.6907 NPC116238
Remote Similarity 0.6905 NPC218388
Remote Similarity 0.6904 NPC150239
Remote Similarity 0.689 NPC133609
Remote Similarity 0.6889 NPC230403
Remote Similarity 0.6888 NPC205372
Remote Similarity 0.6888 NPC51388
Remote Similarity 0.6888 NPC229893
Remote Similarity 0.6882 NPC315499
Remote Similarity 0.688 NPC471304
Remote Similarity 0.6878 NPC67658
Remote Similarity 0.6878 NPC330009
Remote Similarity 0.6872 NPC74575
Remote Similarity 0.687 NPC141053
Remote Similarity 0.687 NPC284888
Remote Similarity 0.6855 NPC15801
Remote Similarity 0.6853 NPC300156
Remote Similarity 0.6849 NPC27041
Remote Similarity 0.6838 NPC174758
Remote Similarity 0.6838 NPC174672
Remote Similarity 0.6834 NPC185197
Remote Similarity 0.6831 NPC470018
Remote Similarity 0.6831 NPC319232
Remote Similarity 0.6831 NPC24370
Remote Similarity 0.6829 NPC474192
Remote Similarity 0.6829 NPC475720
Remote Similarity 0.6828 NPC79356
Remote Similarity 0.6828 NPC102592
Remote Similarity 0.6827 NPC131486
Remote Similarity 0.6824 NPC473800
Remote Similarity 0.6822 NPC308137
Remote Similarity 0.6822 NPC472098
Remote Similarity 0.6822 NPC310211
Remote Similarity 0.6822 NPC474428
Remote Similarity 0.6822 NPC118940
Remote Similarity 0.682 NPC247803
Remote Similarity 0.682 NPC132385
Remote Similarity 0.6815 NPC477549
Remote Similarity 0.6811 NPC270515
Remote Similarity 0.6809 NPC269367
Remote Similarity 0.6805 NPC198503
Remote Similarity 0.6803 NPC186351
Remote Similarity 0.6803 NPC34580
Remote Similarity 0.6803 NPC124920
Remote Similarity 0.6803 NPC261251
Remote Similarity 0.6803 NPC118559
Remote Similarity 0.6803 NPC140296
Remote Similarity 0.6803 NPC304307
Remote Similarity 0.6802 NPC241025
Remote Similarity 0.6802 NPC133003
Remote Similarity 0.6798 NPC141454
Remote Similarity 0.6798 NPC58209
Remote Similarity 0.6797 NPC189079
Remote Similarity 0.6795 NPC266249
Remote Similarity 0.6793 NPC469592
Remote Similarity 0.6793 NPC232225
Remote Similarity 0.6793 NPC471080
Remote Similarity 0.6792 NPC298436
Remote Similarity 0.6792 NPC168209
Remote Similarity 0.679 NPC97746
Remote Similarity 0.6789 NPC474701
Remote Similarity 0.6786 NPC208364
Remote Similarity 0.6783 NPC329747
Remote Similarity 0.678 NPC220337
Remote Similarity 0.6776 NPC100547
Remote Similarity 0.6774 NPC34770
Remote Similarity 0.6774 NPC253675
Remote Similarity 0.6769 NPC472284
Remote Similarity 0.6768 NPC227824
Remote Similarity 0.6767 NPC476098
Remote Similarity 0.6767 NPC165599
Remote Similarity 0.6762 NPC214142
Remote Similarity 0.6761 NPC477516
Remote Similarity 0.6756 NPC324091
Remote Similarity 0.6756 NPC144381
Remote Similarity 0.6754 NPC472116
Remote Similarity 0.6752 NPC244741
Remote Similarity 0.6751 NPC38237
Remote Similarity 0.675 NPC469594
Remote Similarity 0.6748 NPC95240
Remote Similarity 0.6748 NPC223409
Remote Similarity 0.6748 NPC322135
Remote Similarity 0.6747 NPC473187
Remote Similarity 0.6747 NPC57453
Remote Similarity 0.6746 NPC166712
Remote Similarity 0.6743 NPC282346
Remote Similarity 0.6742 NPC118776
Remote Similarity 0.6737 NPC123839
Remote Similarity 0.6736 NPC3207
Remote Similarity 0.6735 NPC473185
Remote Similarity 0.6734 NPC323752

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  397.14
ALogP  -1.942
MLogP  2.89
XLogP  3.743
HDA  5
HBD  2
Rotatable Bonds  8
TPSA  95.67
RO5 Violation  0