Drug Information

Drug ID:  NPD6015
Drug Name:  Triamcinolone Acetonide
Molecular Formula:  C24H31FO6
Canonical SMILES:  OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1CCC1=CC(=O)C=C[C@]21C)F)(C)C
Standard InCHI:  InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1
Standard InCHIKey:  YNDXUCZADRHECN-JNQJZLCISA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6015

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 0.9911 NPC313528
High Similarity 0.8929 NPC235077
High Similarity 0.8696 NPC178981
High Similarity 0.8673 NPC2766
High Similarity 0.8534 NPC471627
High Similarity 0.8534 NPC471173
Intermediate Similarity 0.8496 NPC44063
Intermediate Similarity 0.8443 NPC473255
Intermediate Similarity 0.839 NPC302471
Intermediate Similarity 0.8319 NPC218970
Intermediate Similarity 0.8306 NPC305496
Intermediate Similarity 0.8306 NPC473265
Intermediate Similarity 0.8305 NPC471398
Intermediate Similarity 0.8288 NPC144956
Intermediate Similarity 0.8276 NPC163314
Intermediate Similarity 0.825 NPC297179
Intermediate Similarity 0.824 NPC473888
Intermediate Similarity 0.8226 NPC174367
Intermediate Similarity 0.8226 NPC47113
Intermediate Similarity 0.822 NPC52634
Intermediate Similarity 0.822 NPC194100
Intermediate Similarity 0.8211 NPC238005
Intermediate Similarity 0.8211 NPC1980
Intermediate Similarity 0.8211 NPC141196
Intermediate Similarity 0.8205 NPC471243
Intermediate Similarity 0.8205 NPC207689
Intermediate Similarity 0.8197 NPC470921
Intermediate Similarity 0.8182 NPC319570
Intermediate Similarity 0.8182 NPC161065
Intermediate Similarity 0.8182 NPC469488
Intermediate Similarity 0.8175 NPC470880
Intermediate Similarity 0.8167 NPC27999
Intermediate Similarity 0.8167 NPC477116
Intermediate Similarity 0.816 NPC42399
Intermediate Similarity 0.816 NPC287423
Intermediate Similarity 0.816 NPC470882
Intermediate Similarity 0.816 NPC473253
Intermediate Similarity 0.8151 NPC477580
Intermediate Similarity 0.8151 NPC326542
Intermediate Similarity 0.8151 NPC243354
Intermediate Similarity 0.8145 NPC475194
Intermediate Similarity 0.8145 NPC190846
Intermediate Similarity 0.8145 NPC277191
Intermediate Similarity 0.8136 NPC205534
Intermediate Similarity 0.8136 NPC207251
Intermediate Similarity 0.813 NPC216866
Intermediate Similarity 0.812 NPC474567
Intermediate Similarity 0.8115 NPC241192
Intermediate Similarity 0.8108 NPC18509
Intermediate Similarity 0.8099 NPC188667
Intermediate Similarity 0.8099 NPC204552
Intermediate Similarity 0.8095 NPC69273
Intermediate Similarity 0.8095 NPC168899
Intermediate Similarity 0.8095 NPC293623
Intermediate Similarity 0.8095 NPC311534
Intermediate Similarity 0.8087 NPC470309
Intermediate Similarity 0.8083 NPC152199
Intermediate Similarity 0.8083 NPC235539
Intermediate Similarity 0.8083 NPC134869
Intermediate Similarity 0.8083 NPC270958
Intermediate Similarity 0.8083 NPC207217
Intermediate Similarity 0.808 NPC225049
Intermediate Similarity 0.808 NPC93368
Intermediate Similarity 0.808 NPC198714
Intermediate Similarity 0.8067 NPC260665
Intermediate Similarity 0.8062 NPC471234
Intermediate Similarity 0.8051 NPC201992
Intermediate Similarity 0.8049 NPC42675
Intermediate Similarity 0.8047 NPC471855
Intermediate Similarity 0.8034 NPC470257
Intermediate Similarity 0.8033 NPC473203
Intermediate Similarity 0.8033 NPC268958
Intermediate Similarity 0.8 NPC18547
Intermediate Similarity 0.8 NPC470922
Intermediate Similarity 0.8 NPC13149
Intermediate Similarity 0.8 NPC474906
Intermediate Similarity 0.8 NPC121566
Intermediate Similarity 0.8 NPC100955
Intermediate Similarity 0.7984 NPC222688
Intermediate Similarity 0.7984 NPC88668
Intermediate Similarity 0.7984 NPC28532
Intermediate Similarity 0.7983 NPC71348
Intermediate Similarity 0.7983 NPC289312
Intermediate Similarity 0.7983 NPC11252
Intermediate Similarity 0.7982 NPC22388
Intermediate Similarity 0.7969 NPC241008
Intermediate Similarity 0.7967 NPC112038
Intermediate Similarity 0.7967 NPC109973
Intermediate Similarity 0.7966 NPC101450
Intermediate Similarity 0.7966 NPC197428
Intermediate Similarity 0.7966 NPC42776
Intermediate Similarity 0.7966 NPC470065
Intermediate Similarity 0.7966 NPC5284
Intermediate Similarity 0.7953 NPC473620
Intermediate Similarity 0.7951 NPC118638
Intermediate Similarity 0.7951 NPC17772
Intermediate Similarity 0.7949 NPC258323
Intermediate Similarity 0.7937 NPC104427
Intermediate Similarity 0.7934 NPC49492
Intermediate Similarity 0.7934 NPC266728
Intermediate Similarity 0.7931 NPC95243
Intermediate Similarity 0.7931 NPC96377
Intermediate Similarity 0.7931 NPC63023
Intermediate Similarity 0.7917 NPC317210
Intermediate Similarity 0.7917 NPC255017
Intermediate Similarity 0.7917 NPC194273
Intermediate Similarity 0.7917 NPC320118
Intermediate Similarity 0.7917 NPC51978
Intermediate Similarity 0.7917 NPC202889
Intermediate Similarity 0.7917 NPC477944
Intermediate Similarity 0.7913 NPC117185
Intermediate Similarity 0.7913 NPC140723
Intermediate Similarity 0.7907 NPC254614
Intermediate Similarity 0.7907 NPC100390
Intermediate Similarity 0.7903 NPC102822
Intermediate Similarity 0.7903 NPC46570
Intermediate Similarity 0.7903 NPC477046
Intermediate Similarity 0.7899 NPC118860
Intermediate Similarity 0.7899 NPC474229
Intermediate Similarity 0.7899 NPC214797
Intermediate Similarity 0.7899 NPC231589
Intermediate Similarity 0.7891 NPC473593
Intermediate Similarity 0.7891 NPC231529
Intermediate Similarity 0.7891 NPC471407
Intermediate Similarity 0.7891 NPC264192
Intermediate Similarity 0.7886 NPC470777
Intermediate Similarity 0.7886 NPC9674
Intermediate Similarity 0.7886 NPC19028
Intermediate Similarity 0.7881 NPC474242
Intermediate Similarity 0.7874 NPC298841
Intermediate Similarity 0.7874 NPC2757
Intermediate Similarity 0.7874 NPC152091
Intermediate Similarity 0.7874 NPC469757
Intermediate Similarity 0.7874 NPC146456
Intermediate Similarity 0.7874 NPC471357
Intermediate Similarity 0.7874 NPC117702
Intermediate Similarity 0.7874 NPC292290
Intermediate Similarity 0.7869 NPC470854
Intermediate Similarity 0.7869 NPC239273
Intermediate Similarity 0.7869 NPC97908
Intermediate Similarity 0.7869 NPC287343
Intermediate Similarity 0.7869 NPC122033
Intermediate Similarity 0.7869 NPC474654
Intermediate Similarity 0.7863 NPC3316
Intermediate Similarity 0.7863 NPC220974
Intermediate Similarity 0.7863 NPC144854
Intermediate Similarity 0.7863 NPC58370
Intermediate Similarity 0.7863 NPC43285
Intermediate Similarity 0.7857 NPC473505
Intermediate Similarity 0.7857 NPC177820
Intermediate Similarity 0.7857 NPC32868
Intermediate Similarity 0.7857 NPC30188
Intermediate Similarity 0.7857 NPC8369
Intermediate Similarity 0.7857 NPC241456
Intermediate Similarity 0.7851 NPC300051
Intermediate Similarity 0.7851 NPC473798
Intermediate Similarity 0.7846 NPC475487
Intermediate Similarity 0.7845 NPC471293
Intermediate Similarity 0.7845 NPC255309
Intermediate Similarity 0.7845 NPC137657
Intermediate Similarity 0.7845 NPC29705
Intermediate Similarity 0.784 NPC107493
Intermediate Similarity 0.784 NPC131824
Intermediate Similarity 0.7833 NPC234042
Intermediate Similarity 0.7833 NPC474516
Intermediate Similarity 0.7833 NPC152117
Intermediate Similarity 0.7833 NPC280782
Intermediate Similarity 0.7833 NPC170487
Intermediate Similarity 0.7833 NPC130427
Intermediate Similarity 0.7829 NPC173347
Intermediate Similarity 0.7823 NPC472004
Intermediate Similarity 0.7823 NPC79579
Intermediate Similarity 0.7823 NPC471406
Intermediate Similarity 0.7823 NPC474585
Intermediate Similarity 0.7823 NPC109607
Intermediate Similarity 0.7823 NPC107338
Intermediate Similarity 0.7805 NPC475632
Intermediate Similarity 0.7805 NPC86020
Intermediate Similarity 0.7803 NPC243014
Intermediate Similarity 0.7797 NPC192813
Intermediate Similarity 0.7797 NPC277017
Intermediate Similarity 0.7797 NPC472825
Intermediate Similarity 0.7797 NPC89860
Intermediate Similarity 0.7797 NPC55973
Intermediate Similarity 0.7797 NPC94529
Intermediate Similarity 0.7797 NPC154608
Intermediate Similarity 0.7797 NPC189663
Intermediate Similarity 0.7795 NPC285091
Intermediate Similarity 0.7787 NPC243981
Intermediate Similarity 0.7787 NPC106228
Intermediate Similarity 0.7787 NPC138372
Intermediate Similarity 0.7787 NPC40632
Intermediate Similarity 0.7787 NPC328374
Intermediate Similarity 0.7787 NPC251236
Intermediate Similarity 0.7787 NPC298278
Intermediate Similarity 0.7787 NPC96312
Intermediate Similarity 0.7786 NPC198361
Intermediate Similarity 0.7786 NPC478069
Intermediate Similarity 0.7778 NPC228701
Intermediate Similarity 0.7778 NPC130511

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  434.21
ALogP  -0.6599
MLogP  3.33
XLogP  1.224
HDA  6
HBD  2
Rotatable Bonds  9
TPSA  93.06
RO5 Violation  0