Drug Information

Drug ID:  NPD4937
Drug Name:  Cinacalcet
Molecular Formula:  C22H22F3N
Canonical SMILES:  C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F
Standard InCHI:  InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1
Standard InCHIKey:  VDHAWDNDOKGFTD-MRXNPFEDSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD4937

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 0.8776 NPC329430
Intermediate Similarity 0.8283 NPC470926
Intermediate Similarity 0.8269 NPC239854
Intermediate Similarity 0.8125 NPC169016
Intermediate Similarity 0.7959 NPC258046
Intermediate Similarity 0.7755 NPC133162
Intermediate Similarity 0.7653 NPC119677
Intermediate Similarity 0.7525 NPC60408
Intermediate Similarity 0.75 NPC12857
Intermediate Similarity 0.7475 NPC104070
Intermediate Similarity 0.7458 NPC320656
Intermediate Similarity 0.7396 NPC325662
Intermediate Similarity 0.7396 NPC98269
Intermediate Similarity 0.7387 NPC474695
Intermediate Similarity 0.7292 NPC139658
Intermediate Similarity 0.7264 NPC469330
Intermediate Similarity 0.7257 NPC434
Intermediate Similarity 0.7257 NPC79618
Intermediate Similarity 0.7113 NPC271642
Intermediate Similarity 0.7083 NPC113000
Intermediate Similarity 0.7083 NPC112609
Intermediate Similarity 0.7083 NPC122327
Intermediate Similarity 0.7041 NPC290638
Intermediate Similarity 0.701 NPC98976
Remote Similarity 0.6992 NPC475915
Remote Similarity 0.6944 NPC322040
Remote Similarity 0.6931 NPC231986
Remote Similarity 0.6881 NPC108339
Remote Similarity 0.6875 NPC474582
Remote Similarity 0.6837 NPC276699
Remote Similarity 0.6837 NPC307195
Remote Similarity 0.6832 NPC315216
Remote Similarity 0.6818 NPC471319
Remote Similarity 0.6818 NPC471320
Remote Similarity 0.6814 NPC291610
Remote Similarity 0.6771 NPC219246
Remote Similarity 0.6771 NPC229235
Remote Similarity 0.6735 NPC258492
Remote Similarity 0.6735 NPC96835
Remote Similarity 0.6733 NPC159661
Remote Similarity 0.6729 NPC176858
Remote Similarity 0.6697 NPC108800
Remote Similarity 0.6667 NPC139416
Remote Similarity 0.6667 NPC191444
Remote Similarity 0.6667 NPC246822
Remote Similarity 0.6667 NPC213570
Remote Similarity 0.6641 NPC126458
Remote Similarity 0.6634 NPC66270
Remote Similarity 0.6634 NPC255345
Remote Similarity 0.6634 NPC245896
Remote Similarity 0.6598 NPC72670
Remote Similarity 0.6585 NPC313673
Remote Similarity 0.6535 NPC3190
Remote Similarity 0.6535 NPC249018
Remote Similarity 0.6531 NPC39799
Remote Similarity 0.6531 NPC226999
Remote Similarity 0.6531 NPC280135
Remote Similarity 0.6531 NPC1008
Remote Similarity 0.6531 NPC87099
Remote Similarity 0.6531 NPC193578
Remote Similarity 0.6531 NPC158028
Remote Similarity 0.6531 NPC135433
Remote Similarity 0.6505 NPC50063
Remote Similarity 0.6465 NPC54269
Remote Similarity 0.6462 NPC252794
Remote Similarity 0.6429 NPC251490
Remote Similarity 0.6364 NPC40488
Remote Similarity 0.6333 NPC302790
Remote Similarity 0.633 NPC30445
Remote Similarity 0.633 NPC111233
Remote Similarity 0.6328 NPC314192
Remote Similarity 0.63 NPC1901
Remote Similarity 0.629 NPC246904
Remote Similarity 0.6288 NPC145754
Remote Similarity 0.627 NPC313449
Remote Similarity 0.626 NPC79698
Remote Similarity 0.625 NPC291066
Remote Similarity 0.6239 NPC473031
Remote Similarity 0.6238 NPC299134
Remote Similarity 0.6218 NPC473418
Remote Similarity 0.6218 NPC167336
Remote Similarity 0.6202 NPC273830
Remote Similarity 0.6198 NPC77294
Remote Similarity 0.6195 NPC7067
Remote Similarity 0.6195 NPC471309
Remote Similarity 0.6167 NPC473498
Remote Similarity 0.6147 NPC203076
Remote Similarity 0.6146 NPC113670
Remote Similarity 0.6143 NPC170170
Remote Similarity 0.6143 NPC219233
Remote Similarity 0.6143 NPC211468
Remote Similarity 0.6139 NPC244738
Remote Similarity 0.6133 NPC29647
Remote Similarity 0.6126 NPC470877
Remote Similarity 0.6122 NPC6107
Remote Similarity 0.6122 NPC267443
Remote Similarity 0.6119 NPC328590
Remote Similarity 0.6117 NPC110264
Remote Similarity 0.6111 NPC101139
Remote Similarity 0.6111 NPC473573
Remote Similarity 0.6103 NPC473962
Remote Similarity 0.61 NPC263385
Remote Similarity 0.6099 NPC323123
Remote Similarity 0.6094 NPC264580
Remote Similarity 0.6093 NPC79328
Remote Similarity 0.609 NPC119326
Remote Similarity 0.6084 NPC311330
Remote Similarity 0.6082 NPC155172
Remote Similarity 0.6082 NPC32312
Remote Similarity 0.608 NPC187036
Remote Similarity 0.6071 NPC159178
Remote Similarity 0.6071 NPC141139
Remote Similarity 0.6071 NPC121872
Remote Similarity 0.6071 NPC78041
Remote Similarity 0.6071 NPC209764
Remote Similarity 0.6071 NPC471307
Remote Similarity 0.6071 NPC74936
Remote Similarity 0.6058 NPC475450
Remote Similarity 0.6058 NPC149379
Remote Similarity 0.6056 NPC470925
Remote Similarity 0.6055 NPC229477
Remote Similarity 0.6053 NPC7393
Remote Similarity 0.6043 NPC478140
Remote Similarity 0.6042 NPC313850
Remote Similarity 0.6042 NPC22786
Remote Similarity 0.6042 NPC71009
Remote Similarity 0.6034 NPC311242
Remote Similarity 0.6026 NPC126519
Remote Similarity 0.6026 NPC203784
Remote Similarity 0.6026 NPC170503
Remote Similarity 0.602 NPC289915
Remote Similarity 0.602 NPC113837
Remote Similarity 0.6019 NPC474088
Remote Similarity 0.6019 NPC134825
Remote Similarity 0.6016 NPC65855
Remote Similarity 0.6016 NPC24777
Remote Similarity 0.6016 NPC192209
Remote Similarity 0.6016 NPC292758
Remote Similarity 0.6014 NPC473930
Remote Similarity 0.6 NPC150254
Remote Similarity 0.6 NPC147000
Remote Similarity 0.6 NPC226778
Remote Similarity 0.6 NPC275467
Remote Similarity 0.6 NPC304761
Remote Similarity 0.5986 NPC312092
Remote Similarity 0.5979 NPC45756
Remote Similarity 0.5965 NPC473661
Remote Similarity 0.5954 NPC71684
Remote Similarity 0.595 NPC67043
Remote Similarity 0.5946 NPC305602
Remote Similarity 0.5946 NPC206592
Remote Similarity 0.5946 NPC33421
Remote Similarity 0.5946 NPC17497
Remote Similarity 0.594 NPC217277
Remote Similarity 0.594 NPC192533
Remote Similarity 0.5938 NPC238023
Remote Similarity 0.5938 NPC310758
Remote Similarity 0.5938 NPC210849
Remote Similarity 0.5938 NPC150196
Remote Similarity 0.5938 NPC246588
Remote Similarity 0.5921 NPC41257
Remote Similarity 0.5918 NPC109787
Remote Similarity 0.5918 NPC144863
Remote Similarity 0.5918 NPC95075
Remote Similarity 0.5918 NPC253883
Remote Similarity 0.5918 NPC90844
Remote Similarity 0.5913 NPC291070
Remote Similarity 0.5913 NPC246757
Remote Similarity 0.5912 NPC473587
Remote Similarity 0.5897 NPC209377
Remote Similarity 0.589 NPC264589
Remote Similarity 0.587 NPC475428
Remote Similarity 0.586 NPC193853
Remote Similarity 0.586 NPC195392
Remote Similarity 0.586 NPC223077
Remote Similarity 0.586 NPC56887
Remote Similarity 0.5859 NPC288232
Remote Similarity 0.5842 NPC200936
Remote Similarity 0.5842 NPC473206
Remote Similarity 0.5841 NPC298115
Remote Similarity 0.584 NPC319579
Remote Similarity 0.5839 NPC219162
Remote Similarity 0.5839 NPC473417
Remote Similarity 0.5839 NPC60538
Remote Similarity 0.5839 NPC207824
Remote Similarity 0.5839 NPC473762
Remote Similarity 0.5839 NPC92541
Remote Similarity 0.5833 NPC327226
Remote Similarity 0.5833 NPC316896
Remote Similarity 0.5833 NPC147062
Remote Similarity 0.5827 NPC179365
Remote Similarity 0.5827 NPC296163
Remote Similarity 0.5821 NPC328267
Remote Similarity 0.582 NPC476198
Remote Similarity 0.5817 NPC318065
Remote Similarity 0.5817 NPC56765
Remote Similarity 0.5817 NPC206819
Remote Similarity 0.5804 NPC262295
Remote Similarity 0.5798 NPC323726
Remote Similarity 0.5797 NPC259665

Drug Structure

External Identifiers

TTD   DNC000196; DAP000256
DrugBank   DB01012
ChEMBL   CHEMBL1201284
IUPHAR/BPS   3308
PharmaGKB   PA164776671
KEGG Drug  
PubChem CID   156419
ChEBI   48390
CAS Number  226256-56-0

Drug Properties

Molecular Weight  357.17
ALogP  0.4646
MLogP  3.44
XLogP  9.806
HDA  1
HBD  1
Rotatable Bonds  11
TPSA  12.03
RO5 Violation  1