Drug Information

Drug ID:  NPD393
Drug Name:  Miglustat
Molecular Formula:  C10H21NO4
Canonical SMILES:  CCCCN1C[C@H](O)[C@H]([C@@H]([C@H]1CO)O)O
Standard InCHI:  InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
Standard InCHIKey:  UQRORFVVSGFNRO-UTINFBMNSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD393

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 0.9655 NPC471419
High Similarity 0.9655 NPC163134
High Similarity 0.9643 NPC170172
High Similarity 0.8966 NPC233364
High Similarity 0.8966 NPC471421
High Similarity 0.8594 NPC268922
High Similarity 0.8525 NPC2432
High Similarity 0.8525 NPC306462
High Similarity 0.8525 NPC69669
High Similarity 0.8525 NPC22774
High Similarity 0.8525 NPC218150
High Similarity 0.8525 NPC150680
Intermediate Similarity 0.8438 NPC471418
Intermediate Similarity 0.8438 NPC34291
Intermediate Similarity 0.8438 NPC126664
Intermediate Similarity 0.8413 NPC286851
Intermediate Similarity 0.8413 NPC303798
Intermediate Similarity 0.8333 NPC476695
Intermediate Similarity 0.8333 NPC476696
Intermediate Similarity 0.8333 NPC476694
Intermediate Similarity 0.8254 NPC142290
Intermediate Similarity 0.8254 NPC75435
Intermediate Similarity 0.8254 NPC471892
Intermediate Similarity 0.8254 NPC223386
Intermediate Similarity 0.8254 NPC198341
Intermediate Similarity 0.8254 NPC471780
Intermediate Similarity 0.8125 NPC315980
Intermediate Similarity 0.8033 NPC193593
Intermediate Similarity 0.8033 NPC143809
Intermediate Similarity 0.8033 NPC76726
Intermediate Similarity 0.8033 NPC290106
Intermediate Similarity 0.7969 NPC233034
Intermediate Similarity 0.7869 NPC204709
Intermediate Similarity 0.7778 NPC150557
Intermediate Similarity 0.7647 NPC163538
Intermediate Similarity 0.7647 NPC115800
Intermediate Similarity 0.7612 NPC171850
Intermediate Similarity 0.7568 NPC471420
Intermediate Similarity 0.7536 NPC137554
Intermediate Similarity 0.7536 NPC28959
Intermediate Similarity 0.7536 NPC285014
Intermediate Similarity 0.7536 NPC255535
Intermediate Similarity 0.7536 NPC299603
Intermediate Similarity 0.75 NPC475715
Intermediate Similarity 0.75 NPC475127
Intermediate Similarity 0.75 NPC473419
Intermediate Similarity 0.7391 NPC473710
Intermediate Similarity 0.7391 NPC475694
Intermediate Similarity 0.7377 NPC275727
Intermediate Similarity 0.7353 NPC474469
Intermediate Similarity 0.7353 NPC254617
Intermediate Similarity 0.7353 NPC266242
Intermediate Similarity 0.7353 NPC74555
Intermediate Similarity 0.7353 NPC306763
Intermediate Similarity 0.7297 NPC98750
Intermediate Similarity 0.7213 NPC277072
Intermediate Similarity 0.7213 NPC178263
Intermediate Similarity 0.7206 NPC141156
Intermediate Similarity 0.7206 NPC184150
Intermediate Similarity 0.7206 NPC59221
Intermediate Similarity 0.72 NPC70574
Intermediate Similarity 0.7059 NPC69798
Intermediate Similarity 0.7059 NPC473952
Intermediate Similarity 0.7059 NPC294883
Intermediate Similarity 0.7059 NPC77191
Intermediate Similarity 0.7059 NPC101746
Intermediate Similarity 0.7059 NPC12514
Intermediate Similarity 0.7059 NPC116377
Intermediate Similarity 0.7013 NPC271772
Intermediate Similarity 0.7013 NPC36927
Remote Similarity 0.697 NPC30126
Remote Similarity 0.697 NPC8087
Remote Similarity 0.697 NPC57846
Remote Similarity 0.697 NPC474014
Remote Similarity 0.697 NPC62507
Remote Similarity 0.6944 NPC474468
Remote Similarity 0.6912 NPC474928
Remote Similarity 0.6912 NPC472609
Remote Similarity 0.6901 NPC223174
Remote Similarity 0.6901 NPC327486
Remote Similarity 0.6901 NPC327753
Remote Similarity 0.6875 NPC469363
Remote Similarity 0.6875 NPC293551
Remote Similarity 0.6753 NPC83248
Remote Similarity 0.6753 NPC100204
Remote Similarity 0.6618 NPC145627
Remote Similarity 0.6615 NPC10262
Remote Similarity 0.6615 NPC8979
Remote Similarity 0.6615 NPC311668
Remote Similarity 0.6615 NPC65832
Remote Similarity 0.65 NPC165119
Remote Similarity 0.6494 NPC314772
Remote Similarity 0.6494 NPC314968
Remote Similarity 0.6479 NPC129100
Remote Similarity 0.6479 NPC322801
Remote Similarity 0.6479 NPC291650
Remote Similarity 0.6456 NPC219340
Remote Similarity 0.641 NPC316807
Remote Similarity 0.64 NPC315806
Remote Similarity 0.6351 NPC306973
Remote Similarity 0.6308 NPC471423
Remote Similarity 0.6308 NPC471442
Remote Similarity 0.6301 NPC23721
Remote Similarity 0.619 NPC306838
Remote Similarity 0.6176 NPC319991
Remote Similarity 0.6164 NPC195165
Remote Similarity 0.6164 NPC107224
Remote Similarity 0.6154 NPC272396
Remote Similarity 0.6154 NPC270041
Remote Similarity 0.6119 NPC471443
Remote Similarity 0.6119 NPC471605
Remote Similarity 0.6111 NPC313821
Remote Similarity 0.6104 NPC470993
Remote Similarity 0.6104 NPC470992
Remote Similarity 0.6026 NPC477002
Remote Similarity 0.6 NPC112398
Remote Similarity 0.6 NPC123814
Remote Similarity 0.5968 NPC81384
Remote Similarity 0.5949 NPC329077
Remote Similarity 0.593 NPC52533
Remote Similarity 0.5926 NPC318258
Remote Similarity 0.5921 NPC477200
Remote Similarity 0.5915 NPC17455
Remote Similarity 0.5873 NPC121062
Remote Similarity 0.5873 NPC29222
Remote Similarity 0.5873 NPC96966
Remote Similarity 0.5857 NPC201338
Remote Similarity 0.5857 NPC328786
Remote Similarity 0.5857 NPC474627
Remote Similarity 0.5844 NPC55274
Remote Similarity 0.5844 NPC185084
Remote Similarity 0.5783 NPC81006
Remote Similarity 0.5783 NPC315969
Remote Similarity 0.5769 NPC26932
Remote Similarity 0.5765 NPC476523
Remote Similarity 0.5763 NPC266553
Remote Similarity 0.5758 NPC474322
Remote Similarity 0.5753 NPC160661
Remote Similarity 0.5732 NPC90839
Remote Similarity 0.5714 NPC192065
Remote Similarity 0.5714 NPC293908
Remote Similarity 0.5714 NPC263058
Remote Similarity 0.5714 NPC66052
Remote Similarity 0.5714 NPC325034
Remote Similarity 0.5714 NPC86412
Remote Similarity 0.5714 NPC93630
Remote Similarity 0.5692 NPC224624
Remote Similarity 0.5682 NPC470284
Remote Similarity 0.5682 NPC292345
Remote Similarity 0.5679 NPC233108
Remote Similarity 0.5679 NPC325902
Remote Similarity 0.5641 NPC29326
Remote Similarity 0.5638 NPC315170
Remote Similarity 0.5634 NPC319131
Remote Similarity 0.5634 NPC143326
Remote Similarity 0.5625 NPC264417
Remote Similarity 0.5625 NPC244539
Remote Similarity 0.5625 NPC217095
Remote Similarity 0.5606 NPC23134
Remote Similarity 0.5606 NPC233726
Remote Similarity 0.5606 NPC124963

Drug Structure

External Identifiers

TTD   DAP000609
DrugBank   DB00419
ChEMBL   CHEMBL1029
IUPHAR/BPS   4841
PharmaGKB   PA10140
KEGG Drug  
PubChem CID   51634
ChEBI   50381
CAS Number  72599-27-0

Drug Properties

Molecular Weight  219.15
ALogP  -2.5195
MLogP  2.01
XLogP  -0.198
HDA  5
HBD  4
Rotatable Bonds  9
TPSA  84.16
RO5 Violation  0