Drug Information

Drug ID:  NPD3352
Drug Name:  Nilvadipine
Molecular Formula:  C19H19N3O6
Canonical SMILES:  COC(=O)C1=C(C#N)NC(=C(C1c1cccc(c1)N(=O)=O)C(=O)OC(C)C)C
Standard InCHI:  InChI=1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3
Standard InCHIKey:  FAIIFDPAEUKBEP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD3352

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
High Similarity 0.8951 NPC190945
High Similarity 0.8859 NPC36836
High Similarity 0.8859 NPC63370
Intermediate Similarity 0.7372 NPC282578
Intermediate Similarity 0.7267 NPC314473
Intermediate Similarity 0.7052 NPC186669
Remote Similarity 0.6908 NPC122235
Remote Similarity 0.6839 NPC329338
Remote Similarity 0.6839 NPC469726
Remote Similarity 0.6818 NPC6974
Remote Similarity 0.68 NPC203202
Remote Similarity 0.68 NPC264482
Remote Similarity 0.6786 NPC123241
Remote Similarity 0.6772 NPC159722
Remote Similarity 0.6765 NPC293458
Remote Similarity 0.676 NPC97584
Remote Similarity 0.6755 NPC226794
Remote Similarity 0.673 NPC319645
Remote Similarity 0.6723 NPC99043
Remote Similarity 0.6723 NPC218594
Remote Similarity 0.6711 NPC472165
Remote Similarity 0.6705 NPC224970
Remote Similarity 0.6705 NPC223595
Remote Similarity 0.6705 NPC167724
Remote Similarity 0.6647 NPC193410
Remote Similarity 0.6611 NPC159963
Remote Similarity 0.6608 NPC248117
Remote Similarity 0.6608 NPC474058
Remote Similarity 0.6588 NPC61013
Remote Similarity 0.6581 NPC101372
Remote Similarity 0.6557 NPC14994
Remote Similarity 0.6541 NPC173295
Remote Similarity 0.6538 NPC49184
Remote Similarity 0.6494 NPC474926
Remote Similarity 0.649 NPC279385
Remote Similarity 0.649 NPC179605
Remote Similarity 0.6452 NPC25401
Remote Similarity 0.6452 NPC314278
Remote Similarity 0.6447 NPC103292
Remote Similarity 0.6432 NPC316405
Remote Similarity 0.6419 NPC472164
Remote Similarity 0.6405 NPC39818
Remote Similarity 0.6404 NPC210415
Remote Similarity 0.6404 NPC293255
Remote Similarity 0.6404 NPC181138
Remote Similarity 0.6404 NPC298851
Remote Similarity 0.6404 NPC21752
Remote Similarity 0.6404 NPC276993
Remote Similarity 0.6391 NPC314223
Remote Similarity 0.6386 NPC477556
Remote Similarity 0.6374 NPC114808
Remote Similarity 0.6369 NPC81092
Remote Similarity 0.6369 NPC242000
Remote Similarity 0.6369 NPC103605
Remote Similarity 0.6364 NPC308197
Remote Similarity 0.6358 NPC229353
Remote Similarity 0.6329 NPC194562
Remote Similarity 0.6328 NPC470971
Remote Similarity 0.6289 NPC316746
Remote Similarity 0.6287 NPC472242
Remote Similarity 0.6286 NPC176983
Remote Similarity 0.6286 NPC286871
Remote Similarity 0.6279 NPC161827
Remote Similarity 0.6264 NPC36495
Remote Similarity 0.6258 NPC287358
Remote Similarity 0.625 NPC292143
Remote Similarity 0.625 NPC139506
Remote Similarity 0.625 NPC470579
Remote Similarity 0.6235 NPC473329
Remote Similarity 0.6222 NPC307640
Remote Similarity 0.6203 NPC72473
Remote Similarity 0.6203 NPC307437
Remote Similarity 0.6203 NPC58827
Remote Similarity 0.6193 NPC253667
Remote Similarity 0.6193 NPC35510
Remote Similarity 0.618 NPC314861
Remote Similarity 0.6178 NPC198205
Remote Similarity 0.6178 NPC476256
Remote Similarity 0.6178 NPC476212
Remote Similarity 0.6178 NPC259791
Remote Similarity 0.6178 NPC470343
Remote Similarity 0.6178 NPC476206
Remote Similarity 0.6178 NPC476205
Remote Similarity 0.6178 NPC476257
Remote Similarity 0.6178 NPC21483
Remote Similarity 0.6178 NPC325013
Remote Similarity 0.6178 NPC476207
Remote Similarity 0.6178 NPC476129
Remote Similarity 0.6178 NPC472244
Remote Similarity 0.6173 NPC253476
Remote Similarity 0.6171 NPC263709
Remote Similarity 0.6171 NPC148468
Remote Similarity 0.6171 NPC243673
Remote Similarity 0.6171 NPC97380
Remote Similarity 0.6171 NPC63210
Remote Similarity 0.6171 NPC310403
Remote Similarity 0.6169 NPC130931
Remote Similarity 0.6166 NPC112752
Remote Similarity 0.6166 NPC311054
Remote Similarity 0.6164 NPC172170
Remote Similarity 0.6154 NPC473541
Remote Similarity 0.6154 NPC478039
Remote Similarity 0.6146 NPC476218
Remote Similarity 0.6146 NPC108804
Remote Similarity 0.6144 NPC64340
Remote Similarity 0.6142 NPC87714
Remote Similarity 0.6136 NPC201424
Remote Similarity 0.6133 NPC191310
Remote Similarity 0.6125 NPC477432
Remote Similarity 0.6124 NPC52059
Remote Similarity 0.6124 NPC470069
Remote Similarity 0.6115 NPC192533
Remote Similarity 0.6114 NPC198390
Remote Similarity 0.6108 NPC475128
Remote Similarity 0.6108 NPC472241
Remote Similarity 0.6108 NPC288305
Remote Similarity 0.6108 NPC472163
Remote Similarity 0.6104 NPC291962
Remote Similarity 0.6104 NPC177684
Remote Similarity 0.6102 NPC472121
Remote Similarity 0.6094 NPC19692
Remote Similarity 0.6094 NPC220151
Remote Similarity 0.609 NPC160493
Remote Similarity 0.6071 NPC176371
Remote Similarity 0.6071 NPC136573
Remote Similarity 0.6065 NPC112373
Remote Similarity 0.6065 NPC150323
Remote Similarity 0.6065 NPC258531
Remote Similarity 0.6065 NPC80150
Remote Similarity 0.6065 NPC475827
Remote Similarity 0.6065 NPC161956
Remote Similarity 0.6065 NPC474223
Remote Similarity 0.6057 NPC29285
Remote Similarity 0.6053 NPC5630
Remote Similarity 0.6051 NPC90358
Remote Similarity 0.6051 NPC107828
Remote Similarity 0.6048 NPC43477
Remote Similarity 0.6048 NPC316202
Remote Similarity 0.6044 NPC285622
Remote Similarity 0.604 NPC61731
Remote Similarity 0.604 NPC186569
Remote Similarity 0.6038 NPC250476
Remote Similarity 0.603 NPC477161
Remote Similarity 0.6025 NPC280807
Remote Similarity 0.6025 NPC472245
Remote Similarity 0.6025 NPC314431
Remote Similarity 0.6024 NPC181527
Remote Similarity 0.6023 NPC211525
Remote Similarity 0.6023 NPC153694
Remote Similarity 0.6021 NPC22476
Remote Similarity 0.6021 NPC203628
Remote Similarity 0.6014 NPC40178
Remote Similarity 0.6011 NPC99632
Remote Similarity 0.6011 NPC13367
Remote Similarity 0.6011 NPC52262
Remote Similarity 0.6011 NPC469460
Remote Similarity 0.6011 NPC282339
Remote Similarity 0.6 NPC474905
Remote Similarity 0.6 NPC279527
Remote Similarity 0.6 NPC473297
Remote Similarity 0.6 NPC214960
Remote Similarity 0.6 NPC260194
Remote Similarity 0.6 NPC477998
Remote Similarity 0.5989 NPC470317
Remote Similarity 0.5988 NPC472243
Remote Similarity 0.5988 NPC231382
Remote Similarity 0.5988 NPC242933
Remote Similarity 0.5987 NPC268534
Remote Similarity 0.598 NPC227361
Remote Similarity 0.598 NPC124658
Remote Similarity 0.5978 NPC189116
Remote Similarity 0.5976 NPC314287
Remote Similarity 0.5975 NPC205946
Remote Similarity 0.5974 NPC152812
Remote Similarity 0.5969 NPC473008
Remote Similarity 0.5969 NPC473298
Remote Similarity 0.5966 NPC469536
Remote Similarity 0.5964 NPC477557
Remote Similarity 0.5963 NPC209389
Remote Similarity 0.5962 NPC475804
Remote Similarity 0.5962 NPC243059
Remote Similarity 0.5962 NPC474222
Remote Similarity 0.5962 NPC190663
Remote Similarity 0.5962 NPC280827
Remote Similarity 0.596 NPC475223
Remote Similarity 0.596 NPC128368
Remote Similarity 0.5957 NPC471742
Remote Similarity 0.5956 NPC177261
Remote Similarity 0.5956 NPC96901
Remote Similarity 0.5955 NPC309531
Remote Similarity 0.5955 NPC472102
Remote Similarity 0.5955 NPC27904
Remote Similarity 0.5955 NPC143457
Remote Similarity 0.5949 NPC474159
Remote Similarity 0.5949 NPC474254
Remote Similarity 0.5949 NPC2982
Remote Similarity 0.5947 NPC181928
Remote Similarity 0.5946 NPC315631
Remote Similarity 0.5946 NPC47536
Remote Similarity 0.5946 NPC20485

Drug Structure

External Identifiers

TTD   DNC011936; DNCL001956
DrugBank   DB06712
ChEMBL   CHEMBL517427
IUPHAR/BPS  
PharmaGKB   PA165958385
KEGG Drug   D01908
PubChem CID   4494
ChEBI   31911
CAS Number  75530-68-6

Drug Properties

Molecular Weight  385.13
ALogP  0.403
MLogP  2.56
XLogP  4.293
HDA  6
HBD  1
Rotatable Bonds  12
TPSA  131.56
RO5 Violation  0