Drug Information

Drug ID:  NPD4068
Drug Name:  Levamlodipine
Molecular Formula:  C20H25ClN2O5
Canonical SMILES:  NCCOCC1=C(C(=O)OCC)[C@H](C(=C(N1)C)C(=O)OC)c1ccccc1Cl
Standard InCHI:  InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1
Standard InCHIKey:  HTIQEAQVCYTUBX-KRWDZBQOSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD4068

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 0.7308 NPC36836
Intermediate Similarity 0.7308 NPC63370
Remote Similarity 0.6993 NPC190945
Remote Similarity 0.6765 NPC313981
Remote Similarity 0.6759 NPC472165
Remote Similarity 0.6533 NPC473247
Remote Similarity 0.6438 NPC160493
Remote Similarity 0.6414 NPC80150
Remote Similarity 0.6389 NPC64340
Remote Similarity 0.6346 NPC319645
Remote Similarity 0.6312 NPC474584
Remote Similarity 0.6301 NPC243059
Remote Similarity 0.6301 NPC474223
Remote Similarity 0.6301 NPC280827
Remote Similarity 0.6301 NPC190663
Remote Similarity 0.6301 NPC475827
Remote Similarity 0.6294 NPC197470
Remote Similarity 0.6277 NPC67043
Remote Similarity 0.6276 NPC310467
Remote Similarity 0.6266 NPC57976
Remote Similarity 0.6259 NPC40178
Remote Similarity 0.6258 NPC470441
Remote Similarity 0.625 NPC69496
Remote Similarity 0.6242 NPC475691
Remote Similarity 0.6241 NPC474689
Remote Similarity 0.6241 NPC270654
Remote Similarity 0.6241 NPC82899
Remote Similarity 0.6241 NPC270699
Remote Similarity 0.6234 NPC233910
Remote Similarity 0.6234 NPC245836
Remote Similarity 0.6229 NPC186669
Remote Similarity 0.6224 NPC472164
Remote Similarity 0.6224 NPC210092
Remote Similarity 0.6224 NPC113099
Remote Similarity 0.6214 NPC214067
Remote Similarity 0.6214 NPC158854
Remote Similarity 0.6214 NPC196246
Remote Similarity 0.6207 NPC152812
Remote Similarity 0.6207 NPC169328
Remote Similarity 0.6197 NPC273814
Remote Similarity 0.6197 NPC128368
Remote Similarity 0.619 NPC474222
Remote Similarity 0.619 NPC475804
Remote Similarity 0.6187 NPC47536
Remote Similarity 0.6187 NPC20485
Remote Similarity 0.6184 NPC81092
Remote Similarity 0.6184 NPC103605
Remote Similarity 0.6183 NPC77273
Remote Similarity 0.6178 NPC77992
Remote Similarity 0.6174 NPC474254
Remote Similarity 0.6174 NPC474159
Remote Similarity 0.6174 NPC35996
Remote Similarity 0.617 NPC1082
Remote Similarity 0.617 NPC319579
Remote Similarity 0.617 NPC305912
Remote Similarity 0.617 NPC323007
Remote Similarity 0.6148 NPC146351
Remote Similarity 0.6143 NPC469636
Remote Similarity 0.6143 NPC182549
Remote Similarity 0.6143 NPC10251
Remote Similarity 0.6143 NPC17417
Remote Similarity 0.6143 NPC114741
Remote Similarity 0.6138 NPC190298
Remote Similarity 0.6136 NPC23453
Remote Similarity 0.6131 NPC123241
Remote Similarity 0.6131 NPC474365
Remote Similarity 0.6131 NPC301943
Remote Similarity 0.6121 NPC472761
Remote Similarity 0.6119 NPC10781
Remote Similarity 0.6119 NPC293628
Remote Similarity 0.6119 NPC324569
Remote Similarity 0.6119 NPC122493
Remote Similarity 0.6118 NPC105114
Remote Similarity 0.6118 NPC152850
Remote Similarity 0.6118 NPC89923
Remote Similarity 0.6118 NPC71933
Remote Similarity 0.6118 NPC239990
Remote Similarity 0.6115 NPC477251
Remote Similarity 0.6115 NPC327481
Remote Similarity 0.6107 NPC26285
Remote Similarity 0.6099 NPC93084
Remote Similarity 0.6099 NPC251854
Remote Similarity 0.6099 NPC24777
Remote Similarity 0.6093 NPC4974
Remote Similarity 0.6093 NPC474847
Remote Similarity 0.6089 NPC159963
Remote Similarity 0.6081 NPC476183
Remote Similarity 0.6076 NPC281104
Remote Similarity 0.6074 NPC78701
Remote Similarity 0.6074 NPC35448
Remote Similarity 0.6074 NPC225060
Remote Similarity 0.6074 NPC179411
Remote Similarity 0.6074 NPC322598
Remote Similarity 0.6071 NPC56493
Remote Similarity 0.6067 NPC475692
Remote Similarity 0.6067 NPC474283
Remote Similarity 0.6065 NPC246079
Remote Similarity 0.6056 NPC474157
Remote Similarity 0.6056 NPC167504
Remote Similarity 0.6056 NPC210089
Remote Similarity 0.6054 NPC314992
Remote Similarity 0.6053 NPC470818
Remote Similarity 0.6053 NPC136453
Remote Similarity 0.6053 NPC477937
Remote Similarity 0.6047 NPC96625
Remote Similarity 0.6044 NPC14994
Remote Similarity 0.6043 NPC269457
Remote Similarity 0.6042 NPC307651
Remote Similarity 0.6042 NPC153053
Remote Similarity 0.604 NPC476184
Remote Similarity 0.604 NPC476281
Remote Similarity 0.6031 NPC240108
Remote Similarity 0.6031 NPC213156
Remote Similarity 0.6026 NPC469742
Remote Similarity 0.6023 NPC293458
Remote Similarity 0.6014 NPC329011
Remote Similarity 0.6014 NPC204784
Remote Similarity 0.6014 NPC164859
Remote Similarity 0.6013 NPC473423
Remote Similarity 0.6012 NPC135121
Remote Similarity 0.6011 NPC6974
Remote Similarity 0.6 NPC119271
Remote Similarity 0.6 NPC213126
Remote Similarity 0.6 NPC157311
Remote Similarity 0.6 NPC193410
Remote Similarity 0.6 NPC471318
Remote Similarity 0.6 NPC317474
Remote Similarity 0.6 NPC249912
Remote Similarity 0.6 NPC51174
Remote Similarity 0.6 NPC291027
Remote Similarity 0.6 NPC306740
Remote Similarity 0.6 NPC92754
Remote Similarity 0.6 NPC84281
Remote Similarity 0.6 NPC276775
Remote Similarity 0.6 NPC169485
Remote Similarity 0.5989 NPC472894
Remote Similarity 0.5989 NPC264482
Remote Similarity 0.5989 NPC203202
Remote Similarity 0.5987 NPC474479
Remote Similarity 0.5986 NPC174099
Remote Similarity 0.5985 NPC42211
Remote Similarity 0.5985 NPC316797
Remote Similarity 0.5977 NPC224970
Remote Similarity 0.5977 NPC167724
Remote Similarity 0.5977 NPC223595
Remote Similarity 0.5976 NPC473541
Remote Similarity 0.5975 NPC477557
Remote Similarity 0.5973 NPC473243
Remote Similarity 0.5971 NPC324786
Remote Similarity 0.5968 NPC328763
Remote Similarity 0.5967 NPC97584
Remote Similarity 0.5965 NPC474058
Remote Similarity 0.5965 NPC248117
Remote Similarity 0.5962 NPC60825
Remote Similarity 0.5962 NPC30390
Remote Similarity 0.5962 NPC291419
Remote Similarity 0.5962 NPC48909
Remote Similarity 0.5962 NPC8761
Remote Similarity 0.5962 NPC44805
Remote Similarity 0.596 NPC476278
Remote Similarity 0.596 NPC472703
Remote Similarity 0.5959 NPC100353
Remote Similarity 0.5957 NPC475465
Remote Similarity 0.5957 NPC472314
Remote Similarity 0.5954 NPC220893
Remote Similarity 0.5954 NPC9822
Remote Similarity 0.5946 NPC237420
Remote Similarity 0.5946 NPC25401
Remote Similarity 0.5942 NPC474112
Remote Similarity 0.5941 NPC61013
Remote Similarity 0.5933 NPC50872
Remote Similarity 0.5929 NPC209632
Remote Similarity 0.5928 NPC314223
Remote Similarity 0.5928 NPC473341
Remote Similarity 0.5926 NPC475128
Remote Similarity 0.5922 NPC99043
Remote Similarity 0.5922 NPC218594
Remote Similarity 0.5921 NPC476260
Remote Similarity 0.5921 NPC12881
Remote Similarity 0.5921 NPC476241
Remote Similarity 0.5921 NPC472704
Remote Similarity 0.5921 NPC140118
Remote Similarity 0.5918 NPC2265
Remote Similarity 0.5915 NPC83628
Remote Similarity 0.5915 NPC281604
Remote Similarity 0.5915 NPC265407
Remote Similarity 0.5912 NPC325497
Remote Similarity 0.5912 NPC118343
Remote Similarity 0.5909 NPC210950
Remote Similarity 0.5909 NPC84288
Remote Similarity 0.5909 NPC199738
Remote Similarity 0.5906 NPC476096
Remote Similarity 0.5903 NPC79496
Remote Similarity 0.5903 NPC321852
Remote Similarity 0.5899 NPC60679
Remote Similarity 0.5896 NPC158900
Remote Similarity 0.5891 NPC294134
Remote Similarity 0.5891 NPC53299
Remote Similarity 0.589 NPC477217
Remote Similarity 0.589 NPC201244

Drug Structure

External Identifiers

TTD   DIB007458
DrugBank   DB09237
ChEMBL   CHEMBL2111097
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI   53796
CAS Number  103129-82-4

Drug Properties

Molecular Weight  408.15
ALogP  -0.1162
MLogP  2.78
XLogP  3.248
HDA  7
HBD  2
Rotatable Bonds  15
TPSA  99.88
RO5 Violation  0