Drug Information

Drug ID:  NPD6883
Drug Name:  Betamethasone Valerate
Molecular Formula:  C27H37FO6
Canonical SMILES:  CCCCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)C(=O)CO
Standard InCHI:  InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1
Standard InCHIKey:  SNHRLVCMMWUAJD-SUYDQAKGSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6883

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 0.9901 NPC2766
High Similarity 0.9703 NPC44063
High Similarity 0.9109 NPC144956
High Similarity 0.8942 NPC235889
High Similarity 0.8911 NPC18509
High Similarity 0.8889 NPC71348
High Similarity 0.8857 NPC181265
High Similarity 0.8818 NPC270958
High Similarity 0.8796 NPC43775
High Similarity 0.8762 NPC137657
High Similarity 0.875 NPC22388
High Similarity 0.8739 NPC471854
High Similarity 0.8716 NPC100267
High Similarity 0.8716 NPC475524
High Similarity 0.8704 NPC235077
High Similarity 0.8704 NPC197428
High Similarity 0.8661 NPC118638
High Similarity 0.8661 NPC311554
High Similarity 0.8661 NPC257457
High Similarity 0.8636 NPC202889
High Similarity 0.8624 NPC118860
High Similarity 0.8624 NPC214797
High Similarity 0.8624 NPC231589
High Similarity 0.8611 NPC241927
High Similarity 0.8611 NPC258543
High Similarity 0.8598 NPC475294
High Similarity 0.8585 NPC29705
High Similarity 0.8571 NPC271266
High Similarity 0.8571 NPC308351
High Similarity 0.8545 NPC170487
High Similarity 0.8522 NPC313528
High Similarity 0.8519 NPC94529
High Similarity 0.8505 NPC196528
Intermediate Similarity 0.8491 NPC311612
Intermediate Similarity 0.8482 NPC148458
Intermediate Similarity 0.8476 NPC224720
Intermediate Similarity 0.8476 NPC476240
Intermediate Similarity 0.8476 NPC476223
Intermediate Similarity 0.8468 NPC194100
Intermediate Similarity 0.8462 NPC114274
Intermediate Similarity 0.8462 NPC477854
Intermediate Similarity 0.8447 NPC96859
Intermediate Similarity 0.8447 NPC328162
Intermediate Similarity 0.8447 NPC305483
Intermediate Similarity 0.844 NPC304495
Intermediate Similarity 0.844 NPC41405
Intermediate Similarity 0.844 NPC214644
Intermediate Similarity 0.8426 NPC185
Intermediate Similarity 0.8426 NPC220974
Intermediate Similarity 0.8416 NPC168027
Intermediate Similarity 0.8416 NPC185936
Intermediate Similarity 0.8407 NPC239273
Intermediate Similarity 0.8396 NPC308726
Intermediate Similarity 0.8396 NPC119601
Intermediate Similarity 0.8396 NPC136289
Intermediate Similarity 0.8396 NPC87351
Intermediate Similarity 0.8396 NPC473928
Intermediate Similarity 0.8381 NPC476274
Intermediate Similarity 0.8378 NPC264634
Intermediate Similarity 0.8378 NPC147180
Intermediate Similarity 0.8378 NPC280782
Intermediate Similarity 0.8378 NPC221144
Intermediate Similarity 0.8365 NPC108078
Intermediate Similarity 0.835 NPC469599
Intermediate Similarity 0.835 NPC317586
Intermediate Similarity 0.835 NPC470016
Intermediate Similarity 0.835 NPC477438
Intermediate Similarity 0.835 NPC477437
Intermediate Similarity 0.8333 NPC477436
Intermediate Similarity 0.8333 NPC265127
Intermediate Similarity 0.8333 NPC470375
Intermediate Similarity 0.8333 NPC109414
Intermediate Similarity 0.8333 NPC278628
Intermediate Similarity 0.8333 NPC470267
Intermediate Similarity 0.8333 NPC231530
Intermediate Similarity 0.8333 NPC470376
Intermediate Similarity 0.8333 NPC477435
Intermediate Similarity 0.8318 NPC140723
Intermediate Similarity 0.8304 NPC52634
Intermediate Similarity 0.8304 NPC962
Intermediate Similarity 0.8304 NPC250109
Intermediate Similarity 0.8302 NPC477052
Intermediate Similarity 0.8302 NPC477051
Intermediate Similarity 0.8302 NPC163372
Intermediate Similarity 0.8302 NPC302537
Intermediate Similarity 0.8302 NPC477053
Intermediate Similarity 0.8302 NPC81530
Intermediate Similarity 0.8269 NPC477853
Intermediate Similarity 0.8269 NPC49371
Intermediate Similarity 0.8261 NPC61520
Intermediate Similarity 0.8252 NPC166906
Intermediate Similarity 0.8252 NPC111015
Intermediate Similarity 0.8252 NPC477439
Intermediate Similarity 0.8235 NPC154101
Intermediate Similarity 0.8224 NPC477054
Intermediate Similarity 0.822 NPC473255
Intermediate Similarity 0.8218 NPC475921
Intermediate Similarity 0.8218 NPC310010
Intermediate Similarity 0.8218 NPC474704
Intermediate Similarity 0.8218 NPC305039
Intermediate Similarity 0.8218 NPC326627
Intermediate Similarity 0.8214 NPC152117
Intermediate Similarity 0.8214 NPC234042
Intermediate Similarity 0.8208 NPC472972
Intermediate Similarity 0.8208 NPC474720
Intermediate Similarity 0.8208 NPC83709
Intermediate Similarity 0.8208 NPC15390
Intermediate Similarity 0.8205 NPC222688
Intermediate Similarity 0.8198 NPC5284
Intermediate Similarity 0.819 NPC109973
Intermediate Similarity 0.819 NPC43747
Intermediate Similarity 0.819 NPC107243
Intermediate Similarity 0.819 NPC57416
Intermediate Similarity 0.819 NPC473456
Intermediate Similarity 0.8182 NPC177064
Intermediate Similarity 0.8182 NPC472825
Intermediate Similarity 0.8182 NPC470269
Intermediate Similarity 0.8182 NPC469844
Intermediate Similarity 0.8174 NPC329736
Intermediate Similarity 0.8173 NPC184848
Intermediate Similarity 0.8173 NPC69548
Intermediate Similarity 0.8165 NPC60681
Intermediate Similarity 0.8165 NPC475571
Intermediate Similarity 0.8165 NPC257353
Intermediate Similarity 0.8158 NPC266728
Intermediate Similarity 0.8158 NPC49492
Intermediate Similarity 0.8158 NPC298278
Intermediate Similarity 0.8155 NPC294263
Intermediate Similarity 0.8155 NPC79117
Intermediate Similarity 0.8148 NPC33973
Intermediate Similarity 0.8148 NPC264048
Intermediate Similarity 0.8148 NPC70967
Intermediate Similarity 0.8148 NPC111323
Intermediate Similarity 0.8148 NPC191892
Intermediate Similarity 0.8148 NPC112009
Intermediate Similarity 0.8148 NPC236390
Intermediate Similarity 0.8148 NPC179208
Intermediate Similarity 0.8148 NPC470839
Intermediate Similarity 0.8142 NPC255017
Intermediate Similarity 0.8142 NPC472926
Intermediate Similarity 0.8137 NPC471896
Intermediate Similarity 0.8136 NPC473979
Intermediate Similarity 0.8131 NPC474327
Intermediate Similarity 0.8125 NPC207689
Intermediate Similarity 0.8119 NPC328539
Intermediate Similarity 0.8113 NPC197386
Intermediate Similarity 0.8113 NPC477813
Intermediate Similarity 0.8113 NPC176845
Intermediate Similarity 0.8113 NPC222011
Intermediate Similarity 0.8108 NPC474901
Intermediate Similarity 0.8108 NPC475941
Intermediate Similarity 0.8103 NPC472933
Intermediate Similarity 0.8095 NPC95565
Intermediate Similarity 0.8095 NPC471039
Intermediate Similarity 0.8095 NPC173272
Intermediate Similarity 0.8095 NPC249954
Intermediate Similarity 0.8095 NPC192428
Intermediate Similarity 0.8095 NPC471153
Intermediate Similarity 0.8091 NPC83744
Intermediate Similarity 0.8091 NPC472925
Intermediate Similarity 0.8087 NPC476965
Intermediate Similarity 0.8087 NPC243065
Intermediate Similarity 0.8087 NPC470959
Intermediate Similarity 0.8083 NPC470882
Intermediate Similarity 0.8083 NPC473265
Intermediate Similarity 0.8083 NPC473253
Intermediate Similarity 0.8077 NPC196485
Intermediate Similarity 0.8077 NPC245972
Intermediate Similarity 0.8077 NPC272635
Intermediate Similarity 0.8077 NPC169751
Intermediate Similarity 0.8073 NPC471293
Intermediate Similarity 0.8073 NPC255309
Intermediate Similarity 0.8073 NPC470251
Intermediate Similarity 0.8073 NPC2436
Intermediate Similarity 0.8073 NPC472228
Intermediate Similarity 0.8073 NPC75531
Intermediate Similarity 0.8073 NPC135854
Intermediate Similarity 0.8073 NPC472227
Intermediate Similarity 0.8073 NPC216245
Intermediate Similarity 0.8073 NPC96268
Intermediate Similarity 0.8073 NPC149124
Intermediate Similarity 0.807 NPC473798
Intermediate Similarity 0.807 NPC470953
Intermediate Similarity 0.8058 NPC218301
Intermediate Similarity 0.8058 NPC23434
Intermediate Similarity 0.8058 NPC272746
Intermediate Similarity 0.8056 NPC185530
Intermediate Similarity 0.8056 NPC195290
Intermediate Similarity 0.8056 NPC473424
Intermediate Similarity 0.8056 NPC473163
Intermediate Similarity 0.8056 NPC204450
Intermediate Similarity 0.8056 NPC477915
Intermediate Similarity 0.8053 NPC475970
Intermediate Similarity 0.8053 NPC207251
Intermediate Similarity 0.8053 NPC90769
Intermediate Similarity 0.8039 NPC76879
Intermediate Similarity 0.8039 NPC1015
Intermediate Similarity 0.8039 NPC86319
Intermediate Similarity 0.8039 NPC275740
Intermediate Similarity 0.8039 NPC31985

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  476.26
ALogP  -1.0647
MLogP  3.66
XLogP  2.84
HDA  6
HBD  2
Rotatable Bonds  14
TPSA  100.9
RO5 Violation  0