Drug Information

Drug ID:  NPD4730
Drug Name:  Prednisolone Phosphoric Acid
Molecular Formula:  C21H29O8P
Canonical SMILES:  O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CC[C@]2(O)C(=O)COP(=O)(O)O)C)C
Standard InCHI:  InChI=1S/C21H29O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1
Standard InCHIKey:  JDOZJEUDSLGTLU-VWUMJDOOSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4730

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 0.9293 NPC144956
High Similarity 0.9091 NPC18509
High Similarity 0.8762 NPC44063
High Similarity 0.8598 NPC2766
High Similarity 0.8586 NPC168027
High Similarity 0.8586 NPC185936
High Similarity 0.8519 NPC235077
Intermediate Similarity 0.8476 NPC311612
Intermediate Similarity 0.8426 NPC214644
Intermediate Similarity 0.8411 NPC185
Intermediate Similarity 0.8384 NPC310010
Intermediate Similarity 0.8384 NPC326627
Intermediate Similarity 0.8381 NPC87351
Intermediate Similarity 0.8283 NPC328539
Intermediate Similarity 0.8252 NPC49371
Intermediate Similarity 0.8252 NPC192428
Intermediate Similarity 0.8235 NPC111015
Intermediate Similarity 0.8224 NPC137657
Intermediate Similarity 0.819 NPC474720
Intermediate Similarity 0.819 NPC15390
Intermediate Similarity 0.8148 NPC257353
Intermediate Similarity 0.8137 NPC233118
Intermediate Similarity 0.8131 NPC117185
Intermediate Similarity 0.8131 NPC111323
Intermediate Similarity 0.8131 NPC191892
Intermediate Similarity 0.8125 NPC108721
Intermediate Similarity 0.8125 NPC73300
Intermediate Similarity 0.8095 NPC114274
Intermediate Similarity 0.8081 NPC327115
Intermediate Similarity 0.8077 NPC249954
Intermediate Similarity 0.8073 NPC58370
Intermediate Similarity 0.8073 NPC83744
Intermediate Similarity 0.8073 NPC43285
Intermediate Similarity 0.8073 NPC165873
Intermediate Similarity 0.807 NPC471854
Intermediate Similarity 0.8058 NPC196485
Intermediate Similarity 0.8058 NPC245972
Intermediate Similarity 0.8056 NPC235889
Intermediate Similarity 0.8039 NPC272746
Intermediate Similarity 0.8037 NPC473424
Intermediate Similarity 0.8037 NPC477915
Intermediate Similarity 0.8036 NPC71348
Intermediate Similarity 0.8036 NPC475524
Intermediate Similarity 0.8036 NPC100267
Intermediate Similarity 0.802 NPC1015
Intermediate Similarity 0.802 NPC86319
Intermediate Similarity 0.802 NPC76879
Intermediate Similarity 0.802 NPC31985
Intermediate Similarity 0.802 NPC275740
Intermediate Similarity 0.802 NPC474245
Intermediate Similarity 0.802 NPC477943
Intermediate Similarity 0.8019 NPC154072
Intermediate Similarity 0.8 NPC329417
Intermediate Similarity 0.8 NPC311554
Intermediate Similarity 0.8 NPC257457
Intermediate Similarity 0.8 NPC190554
Intermediate Similarity 0.7982 NPC85829
Intermediate Similarity 0.7982 NPC50692
Intermediate Similarity 0.7982 NPC97202
Intermediate Similarity 0.7982 NPC48733
Intermediate Similarity 0.7982 NPC181265
Intermediate Similarity 0.7982 NPC214264
Intermediate Similarity 0.7982 NPC270958
Intermediate Similarity 0.7982 NPC260268
Intermediate Similarity 0.7982 NPC302607
Intermediate Similarity 0.7982 NPC319077
Intermediate Similarity 0.7982 NPC202167
Intermediate Similarity 0.7982 NPC49958
Intermediate Similarity 0.7982 NPC296945
Intermediate Similarity 0.7982 NPC171137
Intermediate Similarity 0.7982 NPC150531
Intermediate Similarity 0.7982 NPC152695
Intermediate Similarity 0.7982 NPC476027
Intermediate Similarity 0.7981 NPC473170
Intermediate Similarity 0.7981 NPC472824
Intermediate Similarity 0.7981 NPC259286
Intermediate Similarity 0.7963 NPC249187
Intermediate Similarity 0.7963 NPC247957
Intermediate Similarity 0.7961 NPC475255
Intermediate Similarity 0.7961 NPC474807
Intermediate Similarity 0.7941 NPC171441
Intermediate Similarity 0.7928 NPC470257
Intermediate Similarity 0.7928 NPC11710
Intermediate Similarity 0.7925 NPC147954
Intermediate Similarity 0.7921 NPC131470
Intermediate Similarity 0.7921 NPC143767
Intermediate Similarity 0.7909 NPC220229
Intermediate Similarity 0.7909 NPC475060
Intermediate Similarity 0.7909 NPC477916
Intermediate Similarity 0.7905 NPC328162
Intermediate Similarity 0.7905 NPC477853
Intermediate Similarity 0.7905 NPC305483
Intermediate Similarity 0.7905 NPC96859
Intermediate Similarity 0.79 NPC20688
Intermediate Similarity 0.789 NPC209502
Intermediate Similarity 0.789 NPC204833
Intermediate Similarity 0.7885 NPC8993
Intermediate Similarity 0.7879 NPC58841
Intermediate Similarity 0.7879 NPC161423
Intermediate Similarity 0.7879 NPC329043
Intermediate Similarity 0.7879 NPC144258
Intermediate Similarity 0.7879 NPC227064
Intermediate Similarity 0.7879 NPC237712
Intermediate Similarity 0.7879 NPC321187
Intermediate Similarity 0.787 NPC22388
Intermediate Similarity 0.7864 NPC472978
Intermediate Similarity 0.7864 NPC475806
Intermediate Similarity 0.7864 NPC99380
Intermediate Similarity 0.7857 NPC197428
Intermediate Similarity 0.785 NPC83709
Intermediate Similarity 0.7845 NPC118638
Intermediate Similarity 0.7843 NPC119416
Intermediate Similarity 0.7838 NPC65941
Intermediate Similarity 0.7838 NPC217201
Intermediate Similarity 0.7838 NPC177064
Intermediate Similarity 0.783 NPC108078
Intermediate Similarity 0.7826 NPC148458
Intermediate Similarity 0.7822 NPC475740
Intermediate Similarity 0.7822 NPC58063
Intermediate Similarity 0.7818 NPC149047
Intermediate Similarity 0.7818 NPC60681
Intermediate Similarity 0.7818 NPC196528
Intermediate Similarity 0.781 NPC280725
Intermediate Similarity 0.781 NPC472485
Intermediate Similarity 0.781 NPC474602
Intermediate Similarity 0.781 NPC472932
Intermediate Similarity 0.781 NPC180950
Intermediate Similarity 0.7807 NPC202889
Intermediate Similarity 0.7807 NPC194100
Intermediate Similarity 0.78 NPC470574
Intermediate Similarity 0.78 NPC36350
Intermediate Similarity 0.7788 NPC12722
Intermediate Similarity 0.7788 NPC470375
Intermediate Similarity 0.7788 NPC69454
Intermediate Similarity 0.7788 NPC207689
Intermediate Similarity 0.7788 NPC470376
Intermediate Similarity 0.7788 NPC472930
Intermediate Similarity 0.7788 NPC43775
Intermediate Similarity 0.7778 NPC302537
Intermediate Similarity 0.7778 NPC64600
Intermediate Similarity 0.7778 NPC163372
Intermediate Similarity 0.7768 NPC241927
Intermediate Similarity 0.7768 NPC258543
Intermediate Similarity 0.7768 NPC304495
Intermediate Similarity 0.7767 NPC320026
Intermediate Similarity 0.7767 NPC126993
Intermediate Similarity 0.7767 NPC85173
Intermediate Similarity 0.7767 NPC191684
Intermediate Similarity 0.7767 NPC129913
Intermediate Similarity 0.7767 NPC183283
Intermediate Similarity 0.7759 NPC239273
Intermediate Similarity 0.7757 NPC477854
Intermediate Similarity 0.7757 NPC191565
Intermediate Similarity 0.7748 NPC475294
Intermediate Similarity 0.7745 NPC158778
Intermediate Similarity 0.7745 NPC470417
Intermediate Similarity 0.7745 NPC292491
Intermediate Similarity 0.7745 NPC471722
Intermediate Similarity 0.7745 NPC310752
Intermediate Similarity 0.7745 NPC471941
Intermediate Similarity 0.7731 NPC313528
Intermediate Similarity 0.7727 NPC29705
Intermediate Similarity 0.7727 NPC75531
Intermediate Similarity 0.7727 NPC149124
Intermediate Similarity 0.7727 NPC72255
Intermediate Similarity 0.7723 NPC31564
Intermediate Similarity 0.7723 NPC72133
Intermediate Similarity 0.7723 NPC474778
Intermediate Similarity 0.7723 NPC474733
Intermediate Similarity 0.7723 NPC474732
Intermediate Similarity 0.7723 NPC94666
Intermediate Similarity 0.7723 NPC51014
Intermediate Similarity 0.7723 NPC145879
Intermediate Similarity 0.7719 NPC221144
Intermediate Similarity 0.7719 NPC170487
Intermediate Similarity 0.7719 NPC207251
Intermediate Similarity 0.7719 NPC280782
Intermediate Similarity 0.7714 NPC299100
Intermediate Similarity 0.7714 NPC473172
Intermediate Similarity 0.7714 NPC103527
Intermediate Similarity 0.7714 NPC471207
Intermediate Similarity 0.7714 NPC166906
Intermediate Similarity 0.7706 NPC119601
Intermediate Similarity 0.7706 NPC308726
Intermediate Similarity 0.7706 NPC473928
Intermediate Similarity 0.7706 NPC185530
Intermediate Similarity 0.77 NPC85774
Intermediate Similarity 0.77 NPC214043
Intermediate Similarity 0.77 NPC82902
Intermediate Similarity 0.7692 NPC131872
Intermediate Similarity 0.7692 NPC155304
Intermediate Similarity 0.7692 NPC63748
Intermediate Similarity 0.7692 NPC473998
Intermediate Similarity 0.7685 NPC110149
Intermediate Similarity 0.7685 NPC112167
Intermediate Similarity 0.7679 NPC295244
Intermediate Similarity 0.7679 NPC94529
Intermediate Similarity 0.7677 NPC193347
Intermediate Similarity 0.767 NPC474704
Intermediate Similarity 0.767 NPC186688

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  440.16
ALogP  -0.7935
MLogP  2.78
XLogP  -0.637
HDA  8
HBD  4
Rotatable Bonds  10
TPSA  151.17
RO5 Violation  0