Drug Information

Drug ID:  NPD2435
Drug Name:  Nifedipine
Molecular Formula:  C17H18N2O6
Canonical SMILES:  COC(=O)C1=C(C)NC(=C(C1c1ccccc1N(=O)=O)C(=O)OC)C
Standard InCHI:  InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
Standard InCHIKey:  HYIMSNHJOBLJNT-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD2435

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 1.0 NPC190945
High Similarity 0.8533 NPC36836
High Similarity 0.8533 NPC63370
Intermediate Similarity 0.7547 NPC123241
Intermediate Similarity 0.747 NPC469726
Intermediate Similarity 0.747 NPC329338
Intermediate Similarity 0.7407 NPC293458
Intermediate Similarity 0.7391 NPC193410
Intermediate Similarity 0.7381 NPC186669
Intermediate Similarity 0.7346 NPC248117
Intermediate Similarity 0.7333 NPC224970
Intermediate Similarity 0.7333 NPC223595
Intermediate Similarity 0.7333 NPC167724
Intermediate Similarity 0.7329 NPC61013
Intermediate Similarity 0.7235 NPC6974
Intermediate Similarity 0.7219 NPC264482
Intermediate Similarity 0.7219 NPC203202
Intermediate Similarity 0.7168 NPC97584
Intermediate Similarity 0.7135 NPC218594
Intermediate Similarity 0.7135 NPC99043
Intermediate Similarity 0.7134 NPC474058
Intermediate Similarity 0.7123 NPC226794
Intermediate Similarity 0.7078 NPC319645
Intermediate Similarity 0.707 NPC282578
Intermediate Similarity 0.7047 NPC122235
Intermediate Similarity 0.7027 NPC314278
Remote Similarity 0.697 NPC36495
Remote Similarity 0.6954 NPC314473
Remote Similarity 0.6914 NPC159963
Remote Similarity 0.6903 NPC159722
Remote Similarity 0.689 NPC161827
Remote Similarity 0.6883 NPC173295
Remote Similarity 0.6854 NPC14994
Remote Similarity 0.6802 NPC298851
Remote Similarity 0.6802 NPC210415
Remote Similarity 0.6802 NPC21752
Remote Similarity 0.6802 NPC181138
Remote Similarity 0.6802 NPC276993
Remote Similarity 0.6802 NPC293255
Remote Similarity 0.6766 NPC310403
Remote Similarity 0.6766 NPC263709
Remote Similarity 0.6766 NPC97380
Remote Similarity 0.6766 NPC148468
Remote Similarity 0.6766 NPC243673
Remote Similarity 0.6766 NPC63210
Remote Similarity 0.6748 NPC473329
Remote Similarity 0.674 NPC25401
Remote Similarity 0.6735 NPC279385
Remote Similarity 0.6735 NPC179605
Remote Similarity 0.6733 NPC474926
Remote Similarity 0.6732 NPC316746
Remote Similarity 0.6689 NPC103292
Remote Similarity 0.6667 NPC317758
Remote Similarity 0.6644 NPC39818
Remote Similarity 0.663 NPC19692
Remote Similarity 0.663 NPC220151
Remote Similarity 0.6622 NPC150323
Remote Similarity 0.6608 NPC52059
Remote Similarity 0.6608 NPC470069
Remote Similarity 0.6607 NPC153694
Remote Similarity 0.6607 NPC211525
Remote Similarity 0.6593 NPC5630
Remote Similarity 0.6588 NPC282339
Remote Similarity 0.6588 NPC472121
Remote Similarity 0.6588 NPC99632
Remote Similarity 0.6585 NPC242000
Remote Similarity 0.6584 NPC308197
Remote Similarity 0.6558 NPC194562
Remote Similarity 0.6557 NPC22476
Remote Similarity 0.6557 NPC203628
Remote Similarity 0.6513 NPC472165
Remote Similarity 0.6513 NPC205946
Remote Similarity 0.651 NPC130931
Remote Similarity 0.6503 NPC472242
Remote Similarity 0.65 NPC242933
Remote Similarity 0.6497 NPC253476
Remote Similarity 0.6492 NPC87714
Remote Similarity 0.6488 NPC473297
Remote Similarity 0.6474 NPC279527
Remote Similarity 0.6474 NPC214960
Remote Similarity 0.6464 NPC49184
Remote Similarity 0.6438 NPC205652
Remote Similarity 0.6438 NPC472164
Remote Similarity 0.6437 NPC470971
Remote Similarity 0.6429 NPC58827
Remote Similarity 0.6429 NPC72473
Remote Similarity 0.6429 NPC478076
Remote Similarity 0.6429 NPC307437
Remote Similarity 0.642 NPC191310
Remote Similarity 0.642 NPC307640
Remote Similarity 0.6417 NPC303214
Remote Similarity 0.6408 NPC172170
Remote Similarity 0.6405 NPC472244
Remote Similarity 0.6405 NPC325013
Remote Similarity 0.6405 NPC470343
Remote Similarity 0.6395 NPC176983
Remote Similarity 0.6395 NPC286871
Remote Similarity 0.6389 NPC288305
Remote Similarity 0.6364 NPC478039
Remote Similarity 0.6359 NPC316405
Remote Similarity 0.6358 NPC43477
Remote Similarity 0.6346 NPC477432
Remote Similarity 0.6337 NPC201424
Remote Similarity 0.6337 NPC225319
Remote Similarity 0.6335 NPC469732
Remote Similarity 0.6335 NPC181527
Remote Similarity 0.6335 NPC232600
Remote Similarity 0.6333 NPC177684
Remote Similarity 0.6333 NPC291962
Remote Similarity 0.633 NPC245916
Remote Similarity 0.6319 NPC472241
Remote Similarity 0.631 NPC314223
Remote Similarity 0.6306 NPC314098
Remote Similarity 0.6294 NPC114808
Remote Similarity 0.6291 NPC112373
Remote Similarity 0.6291 NPC161956
Remote Similarity 0.6291 NPC258531
Remote Similarity 0.6289 NPC477161
Remote Similarity 0.6286 NPC472115
Remote Similarity 0.6286 NPC472114
Remote Similarity 0.6284 NPC469460
Remote Similarity 0.6283 NPC294909
Remote Similarity 0.6283 NPC199851
Remote Similarity 0.6283 NPC312870
Remote Similarity 0.6283 NPC254240
Remote Similarity 0.6283 NPC128265
Remote Similarity 0.6273 NPC287358
Remote Similarity 0.627 NPC111602
Remote Similarity 0.627 NPC63199
Remote Similarity 0.627 NPC196251
Remote Similarity 0.627 NPC102338
Remote Similarity 0.6267 NPC229353
Remote Similarity 0.6264 NPC189116
Remote Similarity 0.6263 NPC138615
Remote Similarity 0.6263 NPC132874
Remote Similarity 0.6263 NPC218733
Remote Similarity 0.6263 NPC265642
Remote Similarity 0.6258 NPC316202
Remote Similarity 0.6258 NPC250476
Remote Similarity 0.6257 NPC469536
Remote Similarity 0.6243 NPC472293
Remote Similarity 0.6242 NPC314431
Remote Similarity 0.6242 NPC472245
Remote Similarity 0.6242 NPC280807
Remote Similarity 0.6237 NPC475147
Remote Similarity 0.6237 NPC473298
Remote Similarity 0.6236 NPC177261
Remote Similarity 0.6234 NPC192533
Remote Similarity 0.6218 NPC1464
Remote Similarity 0.6216 NPC181928
Remote Similarity 0.6209 NPC268534
Remote Similarity 0.6196 NPC472243
Remote Similarity 0.6196 NPC472209
Remote Similarity 0.6196 NPC52262
Remote Similarity 0.619 NPC474121
Remote Similarity 0.6182 NPC314287
Remote Similarity 0.618 NPC292265
Remote Similarity 0.6178 NPC209389
Remote Similarity 0.6178 NPC101372
Remote Similarity 0.6175 NPC470317
Remote Similarity 0.617 NPC472292
Remote Similarity 0.6168 NPC259678
Remote Similarity 0.6163 NPC29285
Remote Similarity 0.6162 NPC160381
Remote Similarity 0.6154 NPC322433
Remote Similarity 0.6149 NPC472102
Remote Similarity 0.6149 NPC309531
Remote Similarity 0.6146 NPC472296
Remote Similarity 0.6146 NPC472297
Remote Similarity 0.6145 NPC285622
Remote Similarity 0.6144 NPC257490
Remote Similarity 0.6141 NPC471742
Remote Similarity 0.6133 NPC476326
Remote Similarity 0.6133 NPC260075
Remote Similarity 0.6129 NPC473815
Remote Similarity 0.6127 NPC113946
Remote Similarity 0.6124 NPC472118
Remote Similarity 0.6122 NPC195787
Remote Similarity 0.6122 NPC246140
Remote Similarity 0.612 NPC475962
Remote Similarity 0.612 NPC472163
Remote Similarity 0.6118 NPC226143
Remote Similarity 0.6118 NPC243756
Remote Similarity 0.6114 NPC253667
Remote Similarity 0.6114 NPC35510
Remote Similarity 0.6111 NPC13367
Remote Similarity 0.6111 NPC475133
Remote Similarity 0.6108 NPC477556
Remote Similarity 0.6108 NPC322621
Remote Similarity 0.6107 NPC470550
Remote Similarity 0.6105 NPC198205
Remote Similarity 0.6105 NPC34717
Remote Similarity 0.6105 NPC476206
Remote Similarity 0.6105 NPC259791
Remote Similarity 0.6105 NPC21483
Remote Similarity 0.6105 NPC476205
Remote Similarity 0.6105 NPC476257
Remote Similarity 0.6105 NPC476129
Remote Similarity 0.6105 NPC476256
Remote Similarity 0.6105 NPC476212

Drug Structure

External Identifiers

TTD   DAP000529
DrugBank   DB01115
ChEMBL   CHEMBL193
IUPHAR/BPS   2514
PharmaGKB   PA450631
KEGG Drug   D00437
PubChem CID   4485
ChEBI   7565
CAS Number  21829-25-4

Drug Properties

Molecular Weight  346.12
ALogP  0.8579
MLogP  2.45
XLogP  3.91
HDA  5
HBD  1
Rotatable Bonds  11
TPSA  107.77
RO5 Violation  0