Drug Information

Drug ID:  NPD4696
Drug Name:  Prednisolone
Molecular Formula:  C21H28O5
Canonical SMILES:  OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
Standard InCHI:  InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
Standard InCHIKey:  OIGNJSKKLXVSLS-VWUMJDOOSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD4696

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 1.0 NPC144956
High Similarity 0.9783 NPC18509
High Similarity 0.9388 NPC44063
High Similarity 0.9239 NPC185936
High Similarity 0.9239 NPC168027
High Similarity 0.92 NPC2766
High Similarity 0.9109 NPC235077
High Similarity 0.9082 NPC311612
High Similarity 0.9022 NPC310010
High Similarity 0.9022 NPC326627
High Similarity 0.901 NPC214644
High Similarity 0.9 NPC185
High Similarity 0.898 NPC87351
High Similarity 0.8913 NPC328539
High Similarity 0.8854 NPC49371
High Similarity 0.8854 NPC192428
High Similarity 0.8842 NPC111015
High Similarity 0.88 NPC137657
High Similarity 0.8776 NPC474720
High Similarity 0.8776 NPC15390
High Similarity 0.8737 NPC233118
High Similarity 0.8713 NPC257353
High Similarity 0.87 NPC191892
High Similarity 0.87 NPC111323
High Similarity 0.8696 NPC327115
High Similarity 0.8673 NPC114274
High Similarity 0.866 NPC249954
High Similarity 0.8646 NPC245972
High Similarity 0.8646 NPC196485
High Similarity 0.8632 NPC272746
High Similarity 0.8627 NPC83744
High Similarity 0.8617 NPC31985
High Similarity 0.8617 NPC76879
High Similarity 0.8617 NPC477943
High Similarity 0.8617 NPC474245
High Similarity 0.8617 NPC1015
High Similarity 0.8617 NPC86319
High Similarity 0.8617 NPC275740
High Similarity 0.8614 NPC235889
High Similarity 0.86 NPC473424
High Similarity 0.86 NPC477915
High Similarity 0.8586 NPC154072
High Similarity 0.8571 NPC190554
High Similarity 0.8571 NPC71348
High Similarity 0.8557 NPC259286
High Similarity 0.8557 NPC472824
High Similarity 0.8557 NPC473170
High Similarity 0.8544 NPC329417
High Similarity 0.8542 NPC474807
High Similarity 0.8542 NPC475255
High Similarity 0.8529 NPC214264
High Similarity 0.8529 NPC171137
High Similarity 0.8529 NPC152695
High Similarity 0.8529 NPC97202
High Similarity 0.8529 NPC85829
High Similarity 0.8529 NPC48733
High Similarity 0.8529 NPC260268
High Similarity 0.8529 NPC319077
High Similarity 0.8529 NPC476027
High Similarity 0.8529 NPC50692
High Similarity 0.8529 NPC49958
High Similarity 0.8529 NPC296945
High Similarity 0.8529 NPC302607
High Similarity 0.8529 NPC202167
High Similarity 0.8529 NPC181265
High Similarity 0.8529 NPC150531
High Similarity 0.8526 NPC171441
High Similarity 0.8515 NPC247957
High Similarity 0.8515 NPC117185
High Similarity 0.8515 NPC249187
High Similarity 0.8511 NPC143767
High Similarity 0.8511 NPC131470
Intermediate Similarity 0.8495 NPC20688
Intermediate Similarity 0.8491 NPC73300
Intermediate Similarity 0.8491 NPC108721
Intermediate Similarity 0.8485 NPC147954
Intermediate Similarity 0.8478 NPC237712
Intermediate Similarity 0.8478 NPC329043
Intermediate Similarity 0.8478 NPC321187
Intermediate Similarity 0.8478 NPC144258
Intermediate Similarity 0.8478 NPC161423
Intermediate Similarity 0.8478 NPC227064
Intermediate Similarity 0.8478 NPC58841
Intermediate Similarity 0.8469 NPC477853
Intermediate Similarity 0.8469 NPC96859
Intermediate Similarity 0.8469 NPC328162
Intermediate Similarity 0.8469 NPC305483
Intermediate Similarity 0.8454 NPC8993
Intermediate Similarity 0.8447 NPC220229
Intermediate Similarity 0.8447 NPC475060
Intermediate Similarity 0.8447 NPC43285
Intermediate Similarity 0.8447 NPC165873
Intermediate Similarity 0.8447 NPC477916
Intermediate Similarity 0.8447 NPC58370
Intermediate Similarity 0.8438 NPC99380
Intermediate Similarity 0.8438 NPC472978
Intermediate Similarity 0.8438 NPC475806
Intermediate Similarity 0.8431 NPC204833
Intermediate Similarity 0.8431 NPC209502
Intermediate Similarity 0.8426 NPC471854
Intermediate Similarity 0.8421 NPC119416
Intermediate Similarity 0.8416 NPC22388
Intermediate Similarity 0.8404 NPC475740
Intermediate Similarity 0.8404 NPC58063
Intermediate Similarity 0.84 NPC83709
Intermediate Similarity 0.8396 NPC100267
Intermediate Similarity 0.8396 NPC475524
Intermediate Similarity 0.8387 NPC36350
Intermediate Similarity 0.8387 NPC470574
Intermediate Similarity 0.8384 NPC108078
Intermediate Similarity 0.8381 NPC197428
Intermediate Similarity 0.837 NPC64600
Intermediate Similarity 0.8367 NPC280725
Intermediate Similarity 0.8367 NPC472932
Intermediate Similarity 0.8367 NPC180950
Intermediate Similarity 0.8367 NPC474602
Intermediate Similarity 0.8367 NPC472485
Intermediate Similarity 0.8365 NPC65941
Intermediate Similarity 0.8365 NPC177064
Intermediate Similarity 0.8365 NPC217201
Intermediate Similarity 0.8351 NPC470375
Intermediate Similarity 0.8351 NPC472930
Intermediate Similarity 0.8351 NPC12722
Intermediate Similarity 0.8351 NPC470376
Intermediate Similarity 0.8351 NPC69454
Intermediate Similarity 0.835 NPC149047
Intermediate Similarity 0.835 NPC60681
Intermediate Similarity 0.8349 NPC257457
Intermediate Similarity 0.8349 NPC311554
Intermediate Similarity 0.8333 NPC191684
Intermediate Similarity 0.8333 NPC129913
Intermediate Similarity 0.8333 NPC183283
Intermediate Similarity 0.8333 NPC85173
Intermediate Similarity 0.8333 NPC126993
Intermediate Similarity 0.8333 NPC320026
Intermediate Similarity 0.8333 NPC270958
Intermediate Similarity 0.8318 NPC194100
Intermediate Similarity 0.8317 NPC163372
Intermediate Similarity 0.8317 NPC302537
Intermediate Similarity 0.8316 NPC471722
Intermediate Similarity 0.8316 NPC471941
Intermediate Similarity 0.8316 NPC470417
Intermediate Similarity 0.8316 NPC292491
Intermediate Similarity 0.8316 NPC158778
Intermediate Similarity 0.8316 NPC310752
Intermediate Similarity 0.8302 NPC43775
Intermediate Similarity 0.8302 NPC207689
Intermediate Similarity 0.83 NPC191565
Intermediate Similarity 0.83 NPC477854
Intermediate Similarity 0.8298 NPC145879
Intermediate Similarity 0.8298 NPC51014
Intermediate Similarity 0.8298 NPC72133
Intermediate Similarity 0.8298 NPC474778
Intermediate Similarity 0.8298 NPC31564
Intermediate Similarity 0.8298 NPC474732
Intermediate Similarity 0.8298 NPC474733
Intermediate Similarity 0.8298 NPC94666
Intermediate Similarity 0.8286 NPC11710
Intermediate Similarity 0.8286 NPC241927
Intermediate Similarity 0.8286 NPC258543
Intermediate Similarity 0.8286 NPC470257
Intermediate Similarity 0.828 NPC82902
Intermediate Similarity 0.828 NPC85774
Intermediate Similarity 0.828 NPC214043
Intermediate Similarity 0.8269 NPC475294
Intermediate Similarity 0.8265 NPC299100
Intermediate Similarity 0.8265 NPC471207
Intermediate Similarity 0.8265 NPC473172
Intermediate Similarity 0.8265 NPC166906
Intermediate Similarity 0.8265 NPC103527
Intermediate Similarity 0.8261 NPC193347
Intermediate Similarity 0.8252 NPC72255
Intermediate Similarity 0.8252 NPC149124
Intermediate Similarity 0.8252 NPC75531
Intermediate Similarity 0.8252 NPC29705
Intermediate Similarity 0.8247 NPC131872
Intermediate Similarity 0.8247 NPC63748
Intermediate Similarity 0.8247 NPC155304
Intermediate Similarity 0.8247 NPC473998
Intermediate Similarity 0.8235 NPC185530
Intermediate Similarity 0.8235 NPC119601
Intermediate Similarity 0.8235 NPC308726
Intermediate Similarity 0.8229 NPC186688
Intermediate Similarity 0.8229 NPC309603
Intermediate Similarity 0.8229 NPC472973
Intermediate Similarity 0.8229 NPC473999
Intermediate Similarity 0.8229 NPC32830
Intermediate Similarity 0.8229 NPC2983
Intermediate Similarity 0.8229 NPC474704
Intermediate Similarity 0.8229 NPC475921
Intermediate Similarity 0.8224 NPC207251
Intermediate Similarity 0.8218 NPC112167
Intermediate Similarity 0.8218 NPC110149
Intermediate Similarity 0.8214 NPC313528
Intermediate Similarity 0.8211 NPC174619
Intermediate Similarity 0.8211 NPC141292
Intermediate Similarity 0.8211 NPC93778
Intermediate Similarity 0.8211 NPC90652
Intermediate Similarity 0.8211 NPC317590
Intermediate Similarity 0.82 NPC43747

Drug Structure

External Identifiers

TTD   DAP000419; DIB011425
DrugBank   DB00860
ChEMBL   CHEMBL131
IUPHAR/BPS   2866
PharmaGKB   PA451096
KEGG Drug   D00472
PubChem CID   5755
ChEBI   8378
CAS Number  50-24-8

Drug Properties

Molecular Weight  360.19
ALogP  -0.8577
MLogP  3.22
XLogP  1.021
HDA  5
HBD  3
Rotatable Bonds  7
TPSA  94.83
RO5 Violation  0