Drug Information

Drug ID:  NPD7762
Drug Name:  Tasidotin Hydrochloride
Molecular Formula:  C32H58N6O5.ClH
Canonical SMILES:  CC([C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=NC(C)(C)C)O)N(C(=O)[C@H](C(C)C)N=C([C@@H](N(C)C)C(C)C)O)C)C.Cl
Standard InCHI:  InChI=1S/C32H58N6O5.ClH/c1-19(2)24(33-28(40)25(20(3)4)35(10)11)30(42)36(12)26(21(5)6)31(43)38-18-14-16-23(38)29(41)37-17-13-15-22(37)27(39)34-32(7,8)9;/h19-26H,13-18H2,1-12H3,(H,33,40)(H,34,39);1H/t22-,23-,24-,25-,26-;/m0./s1
Standard InCHIKey:  OOKIODJYZSVHDO-QMYFOHRPSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7762

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
Intermediate Similarity 0.8481 NPC31756
Intermediate Similarity 0.8434 NPC477539
Intermediate Similarity 0.8375 NPC476243
Intermediate Similarity 0.8375 NPC476137
Intermediate Similarity 0.8375 NPC476156
Intermediate Similarity 0.8375 NPC476117
Intermediate Similarity 0.8272 NPC476302
Intermediate Similarity 0.8077 NPC266888
Intermediate Similarity 0.8077 NPC209156
Intermediate Similarity 0.8077 NPC256312
Intermediate Similarity 0.8077 NPC161774
Intermediate Similarity 0.8052 NPC214532
Intermediate Similarity 0.8052 NPC196007
Intermediate Similarity 0.8052 NPC76297
Intermediate Similarity 0.7955 NPC477538
Intermediate Similarity 0.7708 NPC128303
Intermediate Similarity 0.7629 NPC241394
Intermediate Similarity 0.759 NPC312315
Intermediate Similarity 0.7556 NPC474576
Intermediate Similarity 0.7529 NPC84128
Intermediate Similarity 0.7529 NPC53858
Intermediate Similarity 0.7473 NPC62263
Intermediate Similarity 0.7473 NPC471098
Intermediate Similarity 0.7473 NPC173763
Intermediate Similarity 0.7444 NPC475801
Intermediate Similarity 0.7444 NPC474593
Intermediate Similarity 0.7412 NPC470783
Intermediate Similarity 0.7403 NPC128005
Intermediate Similarity 0.7403 NPC84182
Intermediate Similarity 0.7356 NPC472351
Intermediate Similarity 0.7317 NPC327272
Intermediate Similarity 0.7209 NPC23984
Intermediate Similarity 0.7195 NPC320221
Intermediate Similarity 0.7158 NPC473597
Intermediate Similarity 0.7158 NPC47076
Intermediate Similarity 0.7158 NPC134504
Intermediate Similarity 0.7143 NPC59867
Intermediate Similarity 0.7126 NPC6902
Intermediate Similarity 0.7126 NPC184473
Intermediate Similarity 0.7126 NPC284456
Intermediate Similarity 0.7045 NPC235078
Intermediate Similarity 0.7033 NPC473495
Intermediate Similarity 0.7013 NPC243964
Intermediate Similarity 0.7011 NPC475542
Intermediate Similarity 0.701 NPC220234
Intermediate Similarity 0.701 NPC475440
Intermediate Similarity 0.7 NPC323720
Remote Similarity 0.6957 NPC275715
Remote Similarity 0.6914 NPC322274
Remote Similarity 0.6842 NPC301010
Remote Similarity 0.68 NPC5864
Remote Similarity 0.68 NPC471097
Remote Similarity 0.68 NPC475149
Remote Similarity 0.68 NPC301148
Remote Similarity 0.68 NPC124554
Remote Similarity 0.6792 NPC63191
Remote Similarity 0.6792 NPC471202
Remote Similarity 0.6786 NPC126186
Remote Similarity 0.6771 NPC280066
Remote Similarity 0.6768 NPC13175
Remote Similarity 0.6768 NPC475791
Remote Similarity 0.675 NPC287693
Remote Similarity 0.6747 NPC470781
Remote Similarity 0.6733 NPC198344
Remote Similarity 0.6667 NPC124549
Remote Similarity 0.6667 NPC475758
Remote Similarity 0.6636 NPC469899
Remote Similarity 0.6628 NPC470782
Remote Similarity 0.6602 NPC475637
Remote Similarity 0.6596 NPC155230
Remote Similarity 0.6569 NPC476877
Remote Similarity 0.6476 NPC171734
Remote Similarity 0.6476 NPC207820
Remote Similarity 0.6476 NPC67009
Remote Similarity 0.6471 NPC29326
Remote Similarity 0.6442 NPC476876
Remote Similarity 0.6364 NPC117829
Remote Similarity 0.6321 NPC296143
Remote Similarity 0.625 NPC314510
Remote Similarity 0.625 NPC322966
Remote Similarity 0.62 NPC469739
Remote Similarity 0.6196 NPC246005
Remote Similarity 0.619 NPC250953
Remote Similarity 0.619 NPC306696
Remote Similarity 0.6176 NPC475188
Remote Similarity 0.6162 NPC38172
Remote Similarity 0.6147 NPC476875
Remote Similarity 0.6122 NPC476019
Remote Similarity 0.6071 NPC296043
Remote Similarity 0.6018 NPC329216
Remote Similarity 0.6 NPC34838
Remote Similarity 0.6 NPC292299
Remote Similarity 0.5976 NPC105297
Remote Similarity 0.5948 NPC160688
Remote Similarity 0.5935 NPC130309
Remote Similarity 0.5934 NPC191774
Remote Similarity 0.5926 NPC263207
Remote Similarity 0.5904 NPC57420
Remote Similarity 0.59 NPC315237
Remote Similarity 0.5867 NPC80350
Remote Similarity 0.5862 NPC470652
Remote Similarity 0.5844 NPC8488
Remote Similarity 0.5844 NPC274499
Remote Similarity 0.5844 NPC333075
Remote Similarity 0.5843 NPC263281
Remote Similarity 0.5843 NPC178919
Remote Similarity 0.5833 NPC128559
Remote Similarity 0.5833 NPC262615
Remote Similarity 0.5812 NPC315188
Remote Similarity 0.5798 NPC470654
Remote Similarity 0.5798 NPC470650
Remote Similarity 0.5798 NPC470653
Remote Similarity 0.5763 NPC200964
Remote Similarity 0.5761 NPC477145
Remote Similarity 0.5761 NPC473741
Remote Similarity 0.5726 NPC200589
Remote Similarity 0.5714 NPC50520
Remote Similarity 0.5659 NPC89489
Remote Similarity 0.5647 NPC160661
Remote Similarity 0.562 NPC309525
Remote Similarity 0.5614 NPC309731
Remote Similarity 0.561 NPC321468
Remote Similarity 0.561 NPC316826
Remote Similarity 0.561 NPC317143
Remote Similarity 0.561 NPC327748
Remote Similarity 0.5607 NPC188785
Remote Similarity 0.5603 NPC28542

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  606.45
ALogP  -0.9095
MLogP  3.77
XLogP  2.767
HDA  11
HBD  2
Rotatable Bonds  29
TPSA  129.35
RO5 Violation  2