Drug Information

Drug ID:  NPD7244
Drug Name:  palonidipine hydrochloride
Molecular Formula:  C29H34FN3O6
Canonical SMILES:  COC(=O)C1=C(C)NC(=C(C1c1cc(ccc1F)N(=O)=O)C(=O)OCC(CN(Cc1ccccc1)C)(C)C)C
Standard InCHI:  InChI=1S/C29H34FN3O6/c1-18-24(27(34)38-6)26(22-14-21(33(36)37)12-13-23(22)30)25(19(2)31-18)28(35)39-17-29(3,4)16-32(5)15-20-10-8-7-9-11-20/h7-14,26,31H,15-17H2,1-6H3
Standard InCHIKey:  MUNSLZPCNUVWCH-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7244

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 0.94 NPC36836
High Similarity 0.94 NPC63370
Intermediate Similarity 0.8366 NPC190945
Intermediate Similarity 0.733 NPC186669
Intermediate Similarity 0.7176 NPC123241
Intermediate Similarity 0.7119 NPC469726
Intermediate Similarity 0.7119 NPC329338
Intermediate Similarity 0.7095 NPC6974
Intermediate Similarity 0.7079 NPC264482
Intermediate Similarity 0.7079 NPC203202
Intermediate Similarity 0.7052 NPC293458
Intermediate Similarity 0.7035 NPC193410
Intermediate Similarity 0.7033 NPC97584
Intermediate Similarity 0.7 NPC99043
Intermediate Similarity 0.7 NPC218594
Remote Similarity 0.6994 NPC248117
Remote Similarity 0.6989 NPC167724
Remote Similarity 0.6989 NPC224970
Remote Similarity 0.6989 NPC223595
Remote Similarity 0.6977 NPC61013
Remote Similarity 0.6928 NPC282578
Remote Similarity 0.6885 NPC159963
Remote Similarity 0.6828 NPC14994
Remote Similarity 0.68 NPC474058
Remote Similarity 0.6727 NPC319645
Remote Similarity 0.672 NPC25401
Remote Similarity 0.6648 NPC36495
Remote Similarity 0.6647 NPC473541
Remote Similarity 0.6646 NPC173295
Remote Similarity 0.6628 NPC473329
Remote Similarity 0.6614 NPC316405
Remote Similarity 0.661 NPC201424
Remote Similarity 0.6607 NPC475128
Remote Similarity 0.6605 NPC314473
Remote Similarity 0.6593 NPC276993
Remote Similarity 0.6593 NPC21752
Remote Similarity 0.6593 NPC293255
Remote Similarity 0.6593 NPC298851
Remote Similarity 0.6593 NPC181138
Remote Similarity 0.6593 NPC210415
Remote Similarity 0.6593 NPC307640
Remote Similarity 0.6573 NPC99632
Remote Similarity 0.6573 NPC282339
Remote Similarity 0.6571 NPC161827
Remote Similarity 0.657 NPC242000
Remote Similarity 0.6568 NPC308197
Remote Similarity 0.6491 NPC260194
Remote Similarity 0.6481 NPC122235
Remote Similarity 0.648 NPC176983
Remote Similarity 0.6467 NPC159722
Remote Similarity 0.6461 NPC97380
Remote Similarity 0.6461 NPC243673
Remote Similarity 0.6461 NPC63210
Remote Similarity 0.6461 NPC148468
Remote Similarity 0.6461 NPC310403
Remote Similarity 0.6461 NPC263709
Remote Similarity 0.6455 NPC49184
Remote Similarity 0.6444 NPC189116
Remote Similarity 0.6443 NPC19692
Remote Similarity 0.6443 NPC220151
Remote Similarity 0.6441 NPC469536
Remote Similarity 0.6438 NPC226794
Remote Similarity 0.6436 NPC470317
Remote Similarity 0.6416 NPC94602
Remote Similarity 0.6409 NPC52059
Remote Similarity 0.6409 NPC470069
Remote Similarity 0.6406 NPC313293
Remote Similarity 0.6402 NPC471742
Remote Similarity 0.64 NPC314223
Remote Similarity 0.64 NPC87714
Remote Similarity 0.6398 NPC472165
Remote Similarity 0.6389 NPC286871
Remote Similarity 0.6384 NPC473297
Remote Similarity 0.6383 NPC288305
Remote Similarity 0.638 NPC81092
Remote Similarity 0.638 NPC103605
Remote Similarity 0.6374 NPC214960
Remote Similarity 0.6374 NPC279527
Remote Similarity 0.6373 NPC22476
Remote Similarity 0.6373 NPC203628
Remote Similarity 0.6368 NPC52262
Remote Similarity 0.6359 NPC21483
Remote Similarity 0.6359 NPC198205
Remote Similarity 0.6348 NPC29285
Remote Similarity 0.6345 NPC311054
Remote Similarity 0.6345 NPC112752
Remote Similarity 0.6333 NPC225319
Remote Similarity 0.6327 NPC245916
Remote Similarity 0.6324 NPC96901
Remote Similarity 0.6321 NPC473298
Remote Similarity 0.6321 NPC5630
Remote Similarity 0.6313 NPC153694
Remote Similarity 0.6313 NPC211525
Remote Similarity 0.6307 NPC243756
Remote Similarity 0.6302 NPC181928
Remote Similarity 0.6298 NPC472121
Remote Similarity 0.6294 NPC198390
Remote Similarity 0.6287 NPC253476
Remote Similarity 0.6276 NPC474121
Remote Similarity 0.6272 NPC287358
Remote Similarity 0.6271 NPC122106
Remote Similarity 0.6264 NPC478039
Remote Similarity 0.6257 NPC43477
Remote Similarity 0.625 NPC257490
Remote Similarity 0.625 NPC176371
Remote Similarity 0.625 NPC136573
Remote Similarity 0.625 NPC232600
Remote Similarity 0.625 NPC103292
Remote Similarity 0.6244 NPC303214
Remote Similarity 0.6237 NPC177261
Remote Similarity 0.6236 NPC478076
Remote Similarity 0.6231 NPC90358
Remote Similarity 0.6231 NPC107828
Remote Similarity 0.6223 NPC260075
Remote Similarity 0.6219 NPC475223
Remote Similarity 0.6211 NPC39818
Remote Similarity 0.6209 NPC35510
Remote Similarity 0.6209 NPC253667
Remote Similarity 0.6207 NPC477161
Remote Similarity 0.6207 NPC472242
Remote Similarity 0.6205 NPC157311
Remote Similarity 0.6205 NPC231382
Remote Similarity 0.6201 NPC114808
Remote Similarity 0.62 NPC254240
Remote Similarity 0.62 NPC294909
Remote Similarity 0.62 NPC128265
Remote Similarity 0.62 NPC312870
Remote Similarity 0.62 NPC199851
Remote Similarity 0.6198 NPC469460
Remote Similarity 0.6198 NPC322621
Remote Similarity 0.6198 NPC472209
Remote Similarity 0.6196 NPC474926
Remote Similarity 0.6196 NPC470343
Remote Similarity 0.6196 NPC182131
Remote Similarity 0.6196 NPC472244
Remote Similarity 0.6193 NPC34717
Remote Similarity 0.619 NPC321211
Remote Similarity 0.6188 NPC475448
Remote Similarity 0.6188 NPC246983
Remote Similarity 0.6188 NPC279385
Remote Similarity 0.6188 NPC179605
Remote Similarity 0.6188 NPC112373
Remote Similarity 0.6188 NPC258531
Remote Similarity 0.6188 NPC161956
Remote Similarity 0.6183 NPC318183
Remote Similarity 0.6173 NPC55493
Remote Similarity 0.6168 NPC8761
Remote Similarity 0.6168 NPC44805
Remote Similarity 0.6162 NPC473484
Remote Similarity 0.6162 NPC472293
Remote Similarity 0.6162 NPC470971
Remote Similarity 0.6159 NPC250476
Remote Similarity 0.6154 NPC27904
Remote Similarity 0.6154 NPC309531
Remote Similarity 0.6154 NPC472102
Remote Similarity 0.6154 NPC474059
Remote Similarity 0.6154 NPC473008
Remote Similarity 0.615 NPC472296
Remote Similarity 0.615 NPC214626
Remote Similarity 0.615 NPC139085
Remote Similarity 0.615 NPC285622
Remote Similarity 0.615 NPC251212
Remote Similarity 0.615 NPC191310
Remote Similarity 0.615 NPC472297
Remote Similarity 0.6142 NPC471825
Remote Similarity 0.6139 NPC1464
Remote Similarity 0.6138 NPC476326
Remote Similarity 0.6135 NPC192533
Remote Similarity 0.6133 NPC113946
Remote Similarity 0.6131 NPC90967
Remote Similarity 0.6129 NPC472118
Remote Similarity 0.6126 NPC475962
Remote Similarity 0.6125 NPC291962
Remote Similarity 0.6125 NPC226143
Remote Similarity 0.6125 NPC177684
Remote Similarity 0.6124 NPC475763
Remote Similarity 0.612 NPC472117
Remote Similarity 0.6115 NPC472164
Remote Similarity 0.6114 NPC477556
Remote Similarity 0.6111 NPC259791
Remote Similarity 0.6111 NPC476257
Remote Similarity 0.6111 NPC476129
Remote Similarity 0.6111 NPC476207
Remote Similarity 0.6111 NPC230313
Remote Similarity 0.6111 NPC476205
Remote Similarity 0.6111 NPC476256
Remote Similarity 0.6111 NPC476206
Remote Similarity 0.6111 NPC476212
Remote Similarity 0.6108 NPC278887
Remote Similarity 0.6103 NPC102338
Remote Similarity 0.6103 NPC111602
Remote Similarity 0.6103 NPC63199
Remote Similarity 0.6103 NPC196251
Remote Similarity 0.6098 NPC474905
Remote Similarity 0.6096 NPC292265
Remote Similarity 0.6095 NPC474473
Remote Similarity 0.6094 NPC477159
Remote Similarity 0.6091 NPC472292
Remote Similarity 0.6089 NPC469732
Remote Similarity 0.6084 NPC101372

Drug Structure

External Identifiers

TTD   DIB009985
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  539.24
ALogP  2.2998
MLogP  3.55
XLogP  7.469
HDA  6
HBD  1
Rotatable Bonds  20
TPSA  111.01
RO5 Violation  2