Drug Information

Drug ID:  NPD2989
Drug Name:  Tecalcet
Molecular Formula:  C18H22ClNO
Canonical SMILES:  COc1cccc(c1)[C@H](NCCCc1ccccc1Cl)C
Standard InCHI:  InChI=1S/C18H22ClNO/c1-14(16-8-5-10-17(13-16)21-2)20-12-6-9-15-7-3-4-11-18(15)19/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3/t14-/m1/s1
Standard InCHIKey:  ZVQUCWXZCKWZBP-CQSZACIVSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2989

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 0.8134 NPC217277
Intermediate Similarity 0.7829 NPC21890
Intermediate Similarity 0.7778 NPC253429
Intermediate Similarity 0.777 NPC172403
Intermediate Similarity 0.7714 NPC471306
Intermediate Similarity 0.7714 NPC471321
Intermediate Similarity 0.7682 NPC60538
Intermediate Similarity 0.7682 NPC207824
Intermediate Similarity 0.7664 NPC471314
Intermediate Similarity 0.7664 NPC471315
Intermediate Similarity 0.7622 NPC160692
Intermediate Similarity 0.7597 NPC97811
Intermediate Similarity 0.7582 NPC277669
Intermediate Similarity 0.7582 NPC76213
Intermediate Similarity 0.7551 NPC314682
Intermediate Similarity 0.7536 NPC298486
Intermediate Similarity 0.7519 NPC186469
Intermediate Similarity 0.75 NPC213206
Intermediate Similarity 0.75 NPC474915
Intermediate Similarity 0.75 NPC188163
Intermediate Similarity 0.75 NPC328750
Intermediate Similarity 0.7484 NPC477564
Intermediate Similarity 0.7484 NPC2295
Intermediate Similarity 0.7482 NPC328267
Intermediate Similarity 0.7464 NPC211992
Intermediate Similarity 0.7445 NPC471308
Intermediate Similarity 0.7445 NPC17388
Intermediate Similarity 0.7445 NPC53596
Intermediate Similarity 0.7445 NPC289330
Intermediate Similarity 0.7445 NPC160120
Intermediate Similarity 0.7444 NPC26524
Intermediate Similarity 0.7431 NPC118419
Intermediate Similarity 0.7389 NPC126519
Intermediate Similarity 0.7389 NPC203784
Intermediate Similarity 0.7389 NPC170503
Intermediate Similarity 0.7383 NPC470925
Intermediate Similarity 0.7364 NPC42383
Intermediate Similarity 0.7351 NPC294249
Intermediate Similarity 0.7325 NPC187022
Intermediate Similarity 0.7325 NPC80129
Intermediate Similarity 0.7303 NPC185838
Intermediate Similarity 0.7297 NPC231163
Intermediate Similarity 0.7297 NPC318591
Intermediate Similarity 0.7292 NPC160193
Intermediate Similarity 0.7285 NPC128019
Intermediate Similarity 0.7285 NPC476567
Intermediate Similarity 0.7285 NPC136860
Intermediate Similarity 0.7279 NPC11147
Intermediate Similarity 0.7278 NPC29647
Intermediate Similarity 0.7267 NPC323204
Intermediate Similarity 0.7234 NPC255253
Intermediate Similarity 0.7233 NPC79328
Intermediate Similarity 0.7226 NPC120075
Intermediate Similarity 0.7208 NPC179825
Intermediate Similarity 0.7208 NPC191376
Intermediate Similarity 0.7208 NPC51957
Intermediate Similarity 0.7208 NPC476151
Intermediate Similarity 0.7208 NPC321505
Intermediate Similarity 0.7208 NPC476144
Intermediate Similarity 0.7208 NPC16107
Intermediate Similarity 0.7208 NPC210437
Intermediate Similarity 0.7208 NPC106295
Intermediate Similarity 0.7194 NPC321133
Intermediate Similarity 0.7188 NPC7393
Intermediate Similarity 0.7181 NPC193528
Intermediate Similarity 0.7179 NPC13397
Intermediate Similarity 0.7161 NPC476571
Intermediate Similarity 0.7161 NPC24233
Intermediate Similarity 0.7161 NPC135538
Intermediate Similarity 0.7161 NPC428
Intermediate Similarity 0.7161 NPC147390
Intermediate Similarity 0.7161 NPC475959
Intermediate Similarity 0.7161 NPC246587
Intermediate Similarity 0.7161 NPC7467
Intermediate Similarity 0.716 NPC475393
Intermediate Similarity 0.7143 NPC325568
Intermediate Similarity 0.7133 NPC318965
Intermediate Similarity 0.7115 NPC477565
Intermediate Similarity 0.7115 NPC103379
Intermediate Similarity 0.7097 NPC144863
Intermediate Similarity 0.7097 NPC90844
Intermediate Similarity 0.7097 NPC253883
Intermediate Similarity 0.7097 NPC95075
Intermediate Similarity 0.7073 NPC81247
Intermediate Similarity 0.7073 NPC86144
Intermediate Similarity 0.7073 NPC35627
Intermediate Similarity 0.7073 NPC304659
Intermediate Similarity 0.7073 NPC476573
Intermediate Similarity 0.7055 NPC262641
Intermediate Similarity 0.7027 NPC266425
Intermediate Similarity 0.7025 NPC326316
Intermediate Similarity 0.7025 NPC81733
Intermediate Similarity 0.702 NPC219233
Intermediate Similarity 0.702 NPC170170
Intermediate Similarity 0.702 NPC211468
Intermediate Similarity 0.7014 NPC141739
Intermediate Similarity 0.7014 NPC320242
Intermediate Similarity 0.7014 NPC136112
Intermediate Similarity 0.7012 NPC209377
Intermediate Similarity 0.7012 NPC4138
Intermediate Similarity 0.7012 NPC284183
Intermediate Similarity 0.7012 NPC121275
Intermediate Similarity 0.7006 NPC92541
Intermediate Similarity 0.7006 NPC219162
Intermediate Similarity 0.7 NPC43275
Remote Similarity 0.6974 NPC323123
Remote Similarity 0.697 NPC195392
Remote Similarity 0.697 NPC193853
Remote Similarity 0.697 NPC56887
Remote Similarity 0.697 NPC223077
Remote Similarity 0.6968 NPC130926
Remote Similarity 0.6966 NPC301713
Remote Similarity 0.6966 NPC218323
Remote Similarity 0.6966 NPC8058
Remote Similarity 0.6962 NPC220858
Remote Similarity 0.6962 NPC88249
Remote Similarity 0.6962 NPC97221
Remote Similarity 0.6962 NPC192768
Remote Similarity 0.6962 NPC151895
Remote Similarity 0.6957 NPC37205
Remote Similarity 0.6957 NPC160931
Remote Similarity 0.6954 NPC471316
Remote Similarity 0.6951 NPC189470
Remote Similarity 0.6928 NPC204947
Remote Similarity 0.6918 NPC291847
Remote Similarity 0.6918 NPC476568
Remote Similarity 0.6909 NPC2770
Remote Similarity 0.6909 NPC39103
Remote Similarity 0.6905 NPC475215
Remote Similarity 0.6905 NPC108434
Remote Similarity 0.6899 NPC470161
Remote Similarity 0.6894 NPC204828
Remote Similarity 0.6894 NPC41178
Remote Similarity 0.6894 NPC469817
Remote Similarity 0.6894 NPC216459
Remote Similarity 0.6894 NPC276588
Remote Similarity 0.6894 NPC54379
Remote Similarity 0.6894 NPC189266
Remote Similarity 0.6894 NPC184026
Remote Similarity 0.6894 NPC295691
Remote Similarity 0.6894 NPC2413
Remote Similarity 0.6894 NPC278799
Remote Similarity 0.6894 NPC110416
Remote Similarity 0.6894 NPC207757
Remote Similarity 0.6894 NPC138487
Remote Similarity 0.6894 NPC172765
Remote Similarity 0.6894 NPC193949
Remote Similarity 0.6894 NPC249797
Remote Similarity 0.6894 NPC5238
Remote Similarity 0.6894 NPC39701
Remote Similarity 0.6894 NPC127674
Remote Similarity 0.6889 NPC24777
Remote Similarity 0.6887 NPC231884
Remote Similarity 0.6887 NPC167944
Remote Similarity 0.6887 NPC7018
Remote Similarity 0.6887 NPC301050
Remote Similarity 0.6887 NPC131204
Remote Similarity 0.6887 NPC42793
Remote Similarity 0.6875 NPC210148
Remote Similarity 0.6875 NPC140359
Remote Similarity 0.6875 NPC13020
Remote Similarity 0.6875 NPC233029
Remote Similarity 0.6875 NPC26601
Remote Similarity 0.6864 NPC477020
Remote Similarity 0.6864 NPC192135
Remote Similarity 0.6864 NPC66341
Remote Similarity 0.6852 NPC25084
Remote Similarity 0.6852 NPC146288
Remote Similarity 0.6852 NPC247639
Remote Similarity 0.6846 NPC300020
Remote Similarity 0.6846 NPC302171
Remote Similarity 0.6846 NPC130595
Remote Similarity 0.6846 NPC93882
Remote Similarity 0.6846 NPC33338
Remote Similarity 0.6845 NPC109925
Remote Similarity 0.6845 NPC69712
Remote Similarity 0.6845 NPC26240
Remote Similarity 0.6845 NPC6152
Remote Similarity 0.6845 NPC477562
Remote Similarity 0.6835 NPC130941
Remote Similarity 0.6831 NPC263835
Remote Similarity 0.6828 NPC105513
Remote Similarity 0.6824 NPC246991
Remote Similarity 0.6821 NPC475828
Remote Similarity 0.6821 NPC237227
Remote Similarity 0.6818 NPC204546
Remote Similarity 0.681 NPC476572
Remote Similarity 0.6803 NPC251571
Remote Similarity 0.68 NPC6854
Remote Similarity 0.68 NPC313737
Remote Similarity 0.68 NPC285078
Remote Similarity 0.679 NPC325871
Remote Similarity 0.679 NPC123323
Remote Similarity 0.679 NPC93593
Remote Similarity 0.679 NPC76079
Remote Similarity 0.679 NPC99659
Remote Similarity 0.6779 NPC114102
Remote Similarity 0.677 NPC114124
Remote Similarity 0.6767 NPC241224
Remote Similarity 0.6759 NPC211218

Drug Structure

External Identifiers

TTD   DNC001190
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   158797
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  303.14
ALogP  0.059
MLogP  3.11
XLogP  5.413
HDA  1
HBD  1
Rotatable Bonds  10
TPSA  21.26
RO5 Violation  1