Drug Information

Drug ID:  NPD4629
Drug Name:  Prednisone
Molecular Formula:  C21H26O5
Canonical SMILES:  OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
Standard InCHI:  InChI=1S/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
Standard InCHIKey:  XOFYZVNMUHMLCC-ZPOLXVRWSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD4629

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 0.9773 NPC233118
High Similarity 0.9432 NPC326627
High Similarity 0.9432 NPC310010
High Similarity 0.898 NPC185
High Similarity 0.8958 NPC87351
High Similarity 0.8947 NPC144956
High Similarity 0.8866 NPC311612
High Similarity 0.8864 NPC237712
High Similarity 0.8864 NPC144258
High Similarity 0.8791 NPC477943
High Similarity 0.875 NPC474720
High Similarity 0.8737 NPC18509
High Similarity 0.871 NPC474807
High Similarity 0.8673 NPC111323
High Similarity 0.8667 NPC327115
High Similarity 0.8652 NPC321187
High Similarity 0.8652 NPC161423
High Similarity 0.8652 NPC227064
High Similarity 0.8652 NPC329043
High Similarity 0.8652 NPC58841
High Similarity 0.8646 NPC147954
High Similarity 0.8636 NPC193347
High Similarity 0.8632 NPC49371
High Similarity 0.8587 NPC76879
High Similarity 0.8571 NPC93778
High Similarity 0.8556 NPC474218
High Similarity 0.8526 NPC472824
High Similarity 0.85 NPC257353
Intermediate Similarity 0.8495 NPC171441
Intermediate Similarity 0.8495 NPC129913
Intermediate Similarity 0.8495 NPC320026
Intermediate Similarity 0.8462 NPC94666
Intermediate Similarity 0.8444 NPC85774
Intermediate Similarity 0.8444 NPC214043
Intermediate Similarity 0.8444 NPC82902
Intermediate Similarity 0.8431 NPC214644
Intermediate Similarity 0.8416 NPC44063
Intermediate Similarity 0.8409 NPC472478
Intermediate Similarity 0.8404 NPC168027
Intermediate Similarity 0.8404 NPC185936
Intermediate Similarity 0.84 NPC137657
Intermediate Similarity 0.8387 NPC31985
Intermediate Similarity 0.8387 NPC2983
Intermediate Similarity 0.8387 NPC474245
Intermediate Similarity 0.8387 NPC1015
Intermediate Similarity 0.837 NPC472484
Intermediate Similarity 0.837 NPC90652
Intermediate Similarity 0.837 NPC58063
Intermediate Similarity 0.837 NPC317590
Intermediate Similarity 0.837 NPC472481
Intermediate Similarity 0.837 NPC136548
Intermediate Similarity 0.837 NPC472482
Intermediate Similarity 0.8352 NPC469948
Intermediate Similarity 0.8351 NPC473161
Intermediate Similarity 0.8315 NPC6434
Intermediate Similarity 0.83 NPC249187
Intermediate Similarity 0.83 NPC247957
Intermediate Similarity 0.828 NPC470417
Intermediate Similarity 0.8261 NPC474732
Intermediate Similarity 0.8261 NPC51014
Intermediate Similarity 0.8261 NPC474733
Intermediate Similarity 0.8261 NPC474778
Intermediate Similarity 0.8261 NPC469994
Intermediate Similarity 0.8261 NPC31564
Intermediate Similarity 0.8261 NPC145879
Intermediate Similarity 0.8261 NPC20688
Intermediate Similarity 0.8252 NPC2766
Intermediate Similarity 0.8247 NPC473164
Intermediate Similarity 0.8247 NPC192428
Intermediate Similarity 0.8242 NPC473246
Intermediate Similarity 0.8235 NPC58370
Intermediate Similarity 0.8235 NPC165873
Intermediate Similarity 0.8235 NPC43285
Intermediate Similarity 0.8229 NPC245972
Intermediate Similarity 0.8229 NPC196485
Intermediate Similarity 0.8229 NPC8993
Intermediate Similarity 0.8229 NPC111015
Intermediate Similarity 0.8222 NPC103486
Intermediate Similarity 0.8218 NPC235889
Intermediate Similarity 0.8211 NPC475806
Intermediate Similarity 0.8211 NPC272746
Intermediate Similarity 0.8211 NPC154101
Intermediate Similarity 0.8211 NPC19114
Intermediate Similarity 0.8191 NPC472475
Intermediate Similarity 0.8191 NPC262043
Intermediate Similarity 0.8191 NPC119416
Intermediate Similarity 0.8191 NPC472477
Intermediate Similarity 0.819 NPC475524
Intermediate Similarity 0.819 NPC100267
Intermediate Similarity 0.8182 NPC154072
Intermediate Similarity 0.8173 NPC235077
Intermediate Similarity 0.8172 NPC99909
Intermediate Similarity 0.8172 NPC475740
Intermediate Similarity 0.8163 NPC107243
Intermediate Similarity 0.8163 NPC57416
Intermediate Similarity 0.8152 NPC29447
Intermediate Similarity 0.8144 NPC472932
Intermediate Similarity 0.8137 NPC181265
Intermediate Similarity 0.8125 NPC474736
Intermediate Similarity 0.8125 NPC250575
Intermediate Similarity 0.8119 NPC117185
Intermediate Similarity 0.8119 NPC239716
Intermediate Similarity 0.8119 NPC191892
Intermediate Similarity 0.809 NPC472490
Intermediate Similarity 0.8085 NPC471941
Intermediate Similarity 0.8085 NPC328539
Intermediate Similarity 0.8085 NPC472483
Intermediate Similarity 0.8085 NPC328313
Intermediate Similarity 0.8081 NPC191565
Intermediate Similarity 0.8077 NPC241927
Intermediate Similarity 0.8077 NPC470257
Intermediate Similarity 0.8077 NPC304495
Intermediate Similarity 0.8077 NPC258543
Intermediate Similarity 0.8065 NPC475022
Intermediate Similarity 0.8065 NPC222613
Intermediate Similarity 0.8065 NPC118648
Intermediate Similarity 0.8061 NPC456
Intermediate Similarity 0.8061 NPC472941
Intermediate Similarity 0.8043 NPC472265
Intermediate Similarity 0.8043 NPC33913
Intermediate Similarity 0.8043 NPC59453
Intermediate Similarity 0.8043 NPC472480
Intermediate Similarity 0.8043 NPC221758
Intermediate Similarity 0.8041 NPC473172
Intermediate Similarity 0.8039 NPC72255
Intermediate Similarity 0.8022 NPC151519
Intermediate Similarity 0.8021 NPC131872
Intermediate Similarity 0.8021 NPC473998
Intermediate Similarity 0.802 NPC477915
Intermediate Similarity 0.8019 NPC221144
Intermediate Similarity 0.8 NPC287833
Intermediate Similarity 0.8 NPC2482
Intermediate Similarity 0.8 NPC32830
Intermediate Similarity 0.8 NPC305039
Intermediate Similarity 0.8 NPC215029
Intermediate Similarity 0.8 NPC54689
Intermediate Similarity 0.8 NPC473999
Intermediate Similarity 0.8 NPC184663
Intermediate Similarity 0.8 NPC26959
Intermediate Similarity 0.8 NPC186688
Intermediate Similarity 0.8 NPC476733
Intermediate Similarity 0.8 NPC268406
Intermediate Similarity 0.8 NPC309603
Intermediate Similarity 0.8 NPC476809
Intermediate Similarity 0.7981 NPC472825
Intermediate Similarity 0.798 NPC108078
Intermediate Similarity 0.798 NPC43747
Intermediate Similarity 0.7979 NPC96496
Intermediate Similarity 0.7979 NPC136948
Intermediate Similarity 0.7978 NPC82635
Intermediate Similarity 0.7963 NPC148458
Intermediate Similarity 0.7961 NPC196528
Intermediate Similarity 0.7959 NPC280725
Intermediate Similarity 0.7959 NPC469599
Intermediate Similarity 0.7959 NPC241156
Intermediate Similarity 0.7959 NPC271195
Intermediate Similarity 0.7959 NPC472485
Intermediate Similarity 0.7959 NPC180950
Intermediate Similarity 0.7957 NPC471224
Intermediate Similarity 0.7957 NPC470574
Intermediate Similarity 0.7957 NPC472940
Intermediate Similarity 0.7957 NPC6185
Intermediate Similarity 0.7957 NPC472931
Intermediate Similarity 0.7957 NPC241512
Intermediate Similarity 0.7938 NPC472942
Intermediate Similarity 0.7938 NPC152897
Intermediate Similarity 0.7938 NPC470376
Intermediate Similarity 0.7938 NPC472930
Intermediate Similarity 0.7938 NPC475255
Intermediate Similarity 0.7938 NPC66429
Intermediate Similarity 0.7938 NPC470375
Intermediate Similarity 0.7938 NPC243866
Intermediate Similarity 0.7938 NPC12722
Intermediate Similarity 0.7938 NPC134826
Intermediate Similarity 0.7935 NPC477852
Intermediate Similarity 0.7935 NPC62214
Intermediate Similarity 0.7925 NPC43775
Intermediate Similarity 0.7925 NPC231589
Intermediate Similarity 0.7925 NPC214797
Intermediate Similarity 0.7925 NPC118860
Intermediate Similarity 0.7925 NPC207689
Intermediate Similarity 0.7917 NPC191684
Intermediate Similarity 0.7917 NPC472476
Intermediate Similarity 0.7917 NPC126993
Intermediate Similarity 0.7917 NPC85173
Intermediate Similarity 0.7917 NPC48010
Intermediate Similarity 0.7912 NPC116797
Intermediate Similarity 0.7912 NPC121984
Intermediate Similarity 0.7912 NPC55869
Intermediate Similarity 0.79 NPC166745
Intermediate Similarity 0.79 NPC114274
Intermediate Similarity 0.79 NPC235464
Intermediate Similarity 0.79 NPC197386
Intermediate Similarity 0.79 NPC103051
Intermediate Similarity 0.7895 NPC310752
Intermediate Similarity 0.7895 NPC44181
Intermediate Similarity 0.7895 NPC292491
Intermediate Similarity 0.7895 NPC471722
Intermediate Similarity 0.7895 NPC474677
Intermediate Similarity 0.789 NPC471854

Drug Structure

External Identifiers

TTD   DAP001041
DrugBank   DB00635
ChEMBL   CHEMBL635
IUPHAR/BPS   7096
PharmaGKB   PA451100
KEGG Drug   D00473
PubChem CID   5865
ChEBI   8382
CAS Number  53-03-2

Drug Properties

Molecular Weight  358.18
ALogP  -0.7488
MLogP  3.22
XLogP  0.608
HDA  5
HBD  2
Rotatable Bonds  6
TPSA  91.67
RO5 Violation  0