Drug Information

Drug ID:  NPD5328
Drug Name:  Medrysone
Molecular Formula:  C22H32O3
Canonical SMILES:  O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C
Standard InCHI:  InChI=1S/C22H32O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,19-20,25H,5-9,11H2,1-4H3/t12-,15-,16+,17-,19-,20+,21-,22+/m0/s1
Standard InCHIKey:  GZENKSODFLBBHQ-ILSZZQPISA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD5328

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 0.988 NPC328539
High Similarity 0.9762 NPC86319
High Similarity 0.9762 NPC275740
High Similarity 0.9643 NPC131470
High Similarity 0.9643 NPC143767
High Similarity 0.9535 NPC168027
High Similarity 0.9535 NPC185936
High Similarity 0.9524 NPC475740
High Similarity 0.9518 NPC470574
High Similarity 0.9425 NPC69454
High Similarity 0.9419 NPC183283
High Similarity 0.9412 NPC471722
High Similarity 0.9405 NPC145879
High Similarity 0.9405 NPC31564
High Similarity 0.9405 NPC72133
High Similarity 0.9405 NPC474733
High Similarity 0.9405 NPC474732
High Similarity 0.9405 NPC474778
High Similarity 0.9398 NPC85774
High Similarity 0.9398 NPC214043
High Similarity 0.931 NPC63748
High Similarity 0.931 NPC272746
High Similarity 0.9302 NPC31985
High Similarity 0.9302 NPC309603
High Similarity 0.9302 NPC1015
High Similarity 0.9302 NPC473999
High Similarity 0.9302 NPC186688
High Similarity 0.9294 NPC58063
High Similarity 0.9286 NPC469948
High Similarity 0.9213 NPC259286
High Similarity 0.9205 NPC475255
High Similarity 0.9195 NPC48010
High Similarity 0.9195 NPC191684
High Similarity 0.9195 NPC126993
High Similarity 0.9195 NPC85173
High Similarity 0.9186 NPC53911
High Similarity 0.9167 NPC473246
High Similarity 0.9167 NPC59453
High Similarity 0.9167 NPC221758
High Similarity 0.9111 NPC192428
High Similarity 0.9111 NPC249954
High Similarity 0.9101 NPC245972
High Similarity 0.9101 NPC196485
High Similarity 0.9101 NPC111015
High Similarity 0.9101 NPC166906
High Similarity 0.9091 NPC473998
High Similarity 0.9091 NPC475806
High Similarity 0.908 NPC119416
High Similarity 0.908 NPC477943
High Similarity 0.908 NPC268406
High Similarity 0.908 NPC26959
High Similarity 0.907 NPC141292
High Similarity 0.907 NPC474684
High Similarity 0.907 NPC142361
High Similarity 0.9048 NPC278648
High Similarity 0.9048 NPC476082
High Similarity 0.9011 NPC18509
High Similarity 0.9 NPC317586
High Similarity 0.9 NPC271195
High Similarity 0.9 NPC473170
High Similarity 0.9 NPC470016
High Similarity 0.8989 NPC472930
High Similarity 0.8989 NPC12722
High Similarity 0.8966 NPC292491
High Similarity 0.8966 NPC471724
High Similarity 0.8966 NPC193360
High Similarity 0.8966 NPC310752
High Similarity 0.8953 NPC222613
High Similarity 0.8953 NPC327115
High Similarity 0.8953 NPC475022
High Similarity 0.8953 NPC94755
High Similarity 0.8953 NPC118648
High Similarity 0.8953 NPC51014
High Similarity 0.8941 NPC321187
High Similarity 0.8941 NPC82902
High Similarity 0.8941 NPC329043
High Similarity 0.8941 NPC472265
High Similarity 0.8941 NPC58841
High Similarity 0.8941 NPC161423
High Similarity 0.8941 NPC227064
High Similarity 0.8941 NPC237712
High Similarity 0.8929 NPC151519
High Similarity 0.8916 NPC164999
High Similarity 0.8913 NPC114274
High Similarity 0.8901 NPC305483
High Similarity 0.8901 NPC96859
High Similarity 0.8901 NPC328162
High Similarity 0.8889 NPC8993
High Similarity 0.8889 NPC471207
High Similarity 0.8876 NPC233116
High Similarity 0.8864 NPC475921
High Similarity 0.8864 NPC474245
High Similarity 0.8864 NPC32830
High Similarity 0.8864 NPC472973
High Similarity 0.8864 NPC474704
High Similarity 0.8851 NPC93778
High Similarity 0.8851 NPC187376
High Similarity 0.8851 NPC159046
High Similarity 0.8851 NPC233836
High Similarity 0.8837 NPC202868
High Similarity 0.8837 NPC197823
High Similarity 0.8837 NPC471224
High Similarity 0.8837 NPC474218
High Similarity 0.883 NPC477915
High Similarity 0.8824 NPC64600
High Similarity 0.8817 NPC144956
High Similarity 0.8804 NPC190554
High Similarity 0.8804 NPC108078
High Similarity 0.8778 NPC477855
High Similarity 0.875 NPC158778
High Similarity 0.875 NPC474925
High Similarity 0.875 NPC328313
High Similarity 0.875 NPC472802
High Similarity 0.875 NPC474677
High Similarity 0.8736 NPC28252
High Similarity 0.8736 NPC158393
High Similarity 0.8736 NPC155011
High Similarity 0.8736 NPC55309
High Similarity 0.8736 NPC469994
High Similarity 0.8736 NPC20688
High Similarity 0.8721 NPC33913
High Similarity 0.8721 NPC146683
High Similarity 0.871 NPC103051
High Similarity 0.8706 NPC48362
High Similarity 0.869 NPC2482
High Similarity 0.869 NPC472478
High Similarity 0.8667 NPC155304
High Similarity 0.8667 NPC131872
High Similarity 0.8667 NPC189520
High Similarity 0.8667 NPC86266
High Similarity 0.8667 NPC212301
High Similarity 0.8667 NPC472975
High Similarity 0.8667 NPC110657
High Similarity 0.8667 NPC472978
High Similarity 0.8652 NPC84271
High Similarity 0.8652 NPC102414
High Similarity 0.8652 NPC76879
High Similarity 0.8652 NPC77168
High Similarity 0.8652 NPC69627
High Similarity 0.8646 NPC209502
High Similarity 0.8646 NPC204833
High Similarity 0.8636 NPC57469
High Similarity 0.8636 NPC317590
High Similarity 0.8636 NPC90652
High Similarity 0.8636 NPC136548
High Similarity 0.8636 NPC4643
High Similarity 0.8632 NPC473424
High Similarity 0.8621 NPC133954
High Similarity 0.8621 NPC76518
High Similarity 0.8621 NPC474083
High Similarity 0.8617 NPC110149
High Similarity 0.8617 NPC154072
High Similarity 0.8617 NPC316964
High Similarity 0.8617 NPC112167
High Similarity 0.8617 NPC15390
High Similarity 0.8605 NPC472743
High Similarity 0.8605 NPC475726
High Similarity 0.8605 NPC118800
High Similarity 0.8602 NPC43747
High Similarity 0.8587 NPC139570
High Similarity 0.8587 NPC469995
High Similarity 0.8587 NPC318282
High Similarity 0.8587 NPC174948
High Similarity 0.8587 NPC255809
High Similarity 0.8587 NPC173875
High Similarity 0.8587 NPC472932
High Similarity 0.8587 NPC200702
High Similarity 0.8571 NPC470224
High Similarity 0.8571 NPC470376
High Similarity 0.8571 NPC474807
High Similarity 0.8571 NPC477520
High Similarity 0.8571 NPC474736
High Similarity 0.8571 NPC109305
High Similarity 0.8571 NPC170220
High Similarity 0.8571 NPC134826
High Similarity 0.8571 NPC107674
High Similarity 0.8571 NPC141497
High Similarity 0.8571 NPC470375
High Similarity 0.8557 NPC97202
High Similarity 0.8557 NPC85829
High Similarity 0.8557 NPC296945
High Similarity 0.8557 NPC49958
High Similarity 0.8557 NPC302607
High Similarity 0.8557 NPC202167
High Similarity 0.8557 NPC476027
High Similarity 0.8557 NPC48733
High Similarity 0.8557 NPC214264
High Similarity 0.8557 NPC150531
High Similarity 0.8557 NPC149047
High Similarity 0.8557 NPC171137
High Similarity 0.8557 NPC152695
High Similarity 0.8557 NPC260268
High Similarity 0.8557 NPC50692
High Similarity 0.8557 NPC319077
High Similarity 0.8556 NPC471896
High Similarity 0.8554 NPC197659
High Similarity 0.8542 NPC312900
High Similarity 0.8539 NPC470417
High Similarity 0.8539 NPC206060
High Similarity 0.8539 NPC242864

Drug Structure

External Identifiers

TTD   DAP001048
DrugBank   DB00253
ChEMBL   CHEMBL1201173
IUPHAR/BPS   7086
PharmaGKB   PA450346
KEGG Drug   D02289
PubChem CID   247839
ChEBI   34829
CAS Number  2668-66-8

Drug Properties

Molecular Weight  344.24
ALogP  0.0287
MLogP  3.55
XLogP  3.245
HDA  3
HBD  1
Rotatable Bonds  6
TPSA  54.37
RO5 Violation  0