Drug Information

Drug ID:  NPD6402
Drug Name:  Hydrocortisone Butyrate
Molecular Formula:  C25H36O6
Canonical SMILES:  CCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C(=O)CO
Standard InCHI:  InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1
Standard InCHIKey:  BMCQMVFGOVHVNG-TUFAYURCSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6402

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 0.9697 NPC44063
High Similarity 0.9505 NPC2766
High Similarity 0.9278 NPC18509
High Similarity 0.9135 NPC43775
High Similarity 0.91 NPC22388
High Similarity 0.9091 NPC144956
High Similarity 0.8922 NPC235889
High Similarity 0.8922 NPC137657
High Similarity 0.8868 NPC71348
High Similarity 0.8846 NPC94529
High Similarity 0.8835 NPC181265
High Similarity 0.8835 NPC196528
High Similarity 0.8796 NPC270958
High Similarity 0.8788 NPC328162
High Similarity 0.8788 NPC96859
High Similarity 0.8788 NPC305483
High Similarity 0.8785 NPC202889
High Similarity 0.8785 NPC194100
High Similarity 0.8763 NPC185936
High Similarity 0.8763 NPC168027
High Similarity 0.875 NPC220974
High Similarity 0.8738 NPC29705
High Similarity 0.8725 NPC119601
High Similarity 0.8725 NPC473928
High Similarity 0.8725 NPC308726
High Similarity 0.8716 NPC471854
High Similarity 0.8692 NPC475524
High Similarity 0.8692 NPC100267
High Similarity 0.8692 NPC280782
High Similarity 0.8687 NPC469599
High Similarity 0.8687 NPC470016
High Similarity 0.8687 NPC477437
High Similarity 0.8687 NPC317586
High Similarity 0.8687 NPC477438
High Similarity 0.8679 NPC197428
High Similarity 0.8673 NPC470376
High Similarity 0.8673 NPC477436
High Similarity 0.8673 NPC470375
High Similarity 0.8673 NPC109414
High Similarity 0.8673 NPC477435
High Similarity 0.8654 NPC278628
High Similarity 0.8654 NPC231530
High Similarity 0.8641 NPC140723
High Similarity 0.8636 NPC257457
High Similarity 0.8636 NPC118638
High Similarity 0.8636 NPC311554
High Similarity 0.8627 NPC163372
High Similarity 0.8627 NPC302537
High Similarity 0.8614 NPC477854
High Similarity 0.8611 NPC250109
High Similarity 0.8611 NPC52634
High Similarity 0.8611 NPC962
High Similarity 0.86 NPC49371
High Similarity 0.8598 NPC231589
High Similarity 0.8598 NPC118860
High Similarity 0.8598 NPC214797
High Similarity 0.8586 NPC111015
High Similarity 0.8586 NPC477439
High Similarity 0.8586 NPC166906
High Similarity 0.8585 NPC304495
High Similarity 0.8585 NPC241927
High Similarity 0.8585 NPC258543
High Similarity 0.8571 NPC154101
High Similarity 0.8571 NPC475294
High Similarity 0.8557 NPC475921
High Similarity 0.8557 NPC474704
High Similarity 0.8557 NPC326627
High Similarity 0.8557 NPC305039
High Similarity 0.8557 NPC310010
High Similarity 0.8544 NPC271266
High Similarity 0.8544 NPC136289
High Similarity 0.8544 NPC308351
High Similarity 0.8529 NPC15390
High Similarity 0.8529 NPC476274
High Similarity 0.8529 NPC472972
High Similarity 0.8529 NPC83709
High Similarity 0.8519 NPC170487
High Similarity 0.8515 NPC43747
High Similarity 0.85 NPC184848
High Similarity 0.85 NPC69548
Intermediate Similarity 0.8496 NPC222688
Intermediate Similarity 0.8482 NPC109973
Intermediate Similarity 0.8476 NPC265127
Intermediate Similarity 0.8476 NPC475571
Intermediate Similarity 0.8476 NPC60681
Intermediate Similarity 0.8469 NPC471896
Intermediate Similarity 0.8462 NPC33973
Intermediate Similarity 0.8462 NPC70967
Intermediate Similarity 0.8462 NPC236390
Intermediate Similarity 0.8462 NPC191892
Intermediate Similarity 0.8462 NPC311612
Intermediate Similarity 0.8455 NPC266728
Intermediate Similarity 0.8455 NPC49492
Intermediate Similarity 0.8455 NPC148458
Intermediate Similarity 0.8454 NPC328539
Intermediate Similarity 0.8447 NPC476240
Intermediate Similarity 0.8447 NPC474327
Intermediate Similarity 0.8447 NPC81530
Intermediate Similarity 0.8447 NPC477053
Intermediate Similarity 0.8447 NPC476223
Intermediate Similarity 0.8447 NPC224720
Intermediate Similarity 0.8447 NPC477052
Intermediate Similarity 0.8447 NPC477051
Intermediate Similarity 0.8431 NPC114274
Intermediate Similarity 0.8431 NPC477813
Intermediate Similarity 0.8431 NPC176845
Intermediate Similarity 0.8416 NPC95565
Intermediate Similarity 0.8416 NPC173272
Intermediate Similarity 0.8416 NPC477853
Intermediate Similarity 0.8416 NPC192428
Intermediate Similarity 0.8411 NPC41405
Intermediate Similarity 0.8411 NPC214644
Intermediate Similarity 0.84 NPC196485
Intermediate Similarity 0.84 NPC245972
Intermediate Similarity 0.8396 NPC83744
Intermediate Similarity 0.8396 NPC185
Intermediate Similarity 0.8384 NPC23434
Intermediate Similarity 0.8381 NPC216245
Intermediate Similarity 0.8381 NPC470251
Intermediate Similarity 0.8381 NPC75531
Intermediate Similarity 0.8381 NPC472228
Intermediate Similarity 0.8381 NPC472227
Intermediate Similarity 0.8381 NPC2436
Intermediate Similarity 0.8381 NPC149124
Intermediate Similarity 0.8381 NPC135854
Intermediate Similarity 0.8381 NPC471293
Intermediate Similarity 0.8378 NPC239273
Intermediate Similarity 0.8367 NPC31985
Intermediate Similarity 0.8367 NPC474245
Intermediate Similarity 0.8367 NPC1015
Intermediate Similarity 0.8367 NPC477943
Intermediate Similarity 0.8367 NPC86319
Intermediate Similarity 0.8367 NPC76879
Intermediate Similarity 0.8367 NPC275740
Intermediate Similarity 0.8365 NPC477915
Intermediate Similarity 0.8365 NPC204450
Intermediate Similarity 0.8365 NPC477054
Intermediate Similarity 0.8365 NPC185530
Intermediate Similarity 0.8365 NPC195290
Intermediate Similarity 0.8365 NPC87351
Intermediate Similarity 0.8364 NPC473798
Intermediate Similarity 0.8351 NPC142361
Intermediate Similarity 0.8351 NPC474684
Intermediate Similarity 0.835 NPC474720
Intermediate Similarity 0.835 NPC154072
Intermediate Similarity 0.835 NPC316964
Intermediate Similarity 0.835 NPC218383
Intermediate Similarity 0.835 NPC88198
Intermediate Similarity 0.8349 NPC221144
Intermediate Similarity 0.8349 NPC264634
Intermediate Similarity 0.8349 NPC207251
Intermediate Similarity 0.8349 NPC147180
Intermediate Similarity 0.8333 NPC69385
Intermediate Similarity 0.8333 NPC107243
Intermediate Similarity 0.8333 NPC18319
Intermediate Similarity 0.8333 NPC108078
Intermediate Similarity 0.8333 NPC190554
Intermediate Similarity 0.8333 NPC57416
Intermediate Similarity 0.8333 NPC235077
Intermediate Similarity 0.8333 NPC470834
Intermediate Similarity 0.8333 NPC23680
Intermediate Similarity 0.8318 NPC329417
Intermediate Similarity 0.8318 NPC177064
Intermediate Similarity 0.8317 NPC45324
Intermediate Similarity 0.8317 NPC279974
Intermediate Similarity 0.8317 NPC222845
Intermediate Similarity 0.8317 NPC48330
Intermediate Similarity 0.8317 NPC139570
Intermediate Similarity 0.8317 NPC473170
Intermediate Similarity 0.8317 NPC162001
Intermediate Similarity 0.8302 NPC50535
Intermediate Similarity 0.8302 NPC470267
Intermediate Similarity 0.8302 NPC49958
Intermediate Similarity 0.8302 NPC85829
Intermediate Similarity 0.8302 NPC97202
Intermediate Similarity 0.8302 NPC171137
Intermediate Similarity 0.8302 NPC476027
Intermediate Similarity 0.8302 NPC202167
Intermediate Similarity 0.8302 NPC214264
Intermediate Similarity 0.8302 NPC302607
Intermediate Similarity 0.8302 NPC150531
Intermediate Similarity 0.8302 NPC48733
Intermediate Similarity 0.8302 NPC319077
Intermediate Similarity 0.8302 NPC296945
Intermediate Similarity 0.8302 NPC257353
Intermediate Similarity 0.8302 NPC50692
Intermediate Similarity 0.8302 NPC260268
Intermediate Similarity 0.8302 NPC152695
Intermediate Similarity 0.83 NPC233118
Intermediate Similarity 0.83 NPC470224
Intermediate Similarity 0.83 NPC141497
Intermediate Similarity 0.83 NPC107674
Intermediate Similarity 0.83 NPC475255
Intermediate Similarity 0.83 NPC170220
Intermediate Similarity 0.83 NPC294263
Intermediate Similarity 0.8288 NPC40632
Intermediate Similarity 0.8288 NPC152199
Intermediate Similarity 0.8288 NPC328374
Intermediate Similarity 0.8288 NPC298278
Intermediate Similarity 0.8288 NPC235539

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  432.25
ALogP  -0.9543
MLogP  3.55
XLogP  1.686
HDA  6
HBD  2
Rotatable Bonds  11
TPSA  100.9
RO5 Violation  0