Drug Information

Drug ID:  NPD3286
Drug Name:  MIV-150
Molecular Formula:  C19H17FN4O3
Canonical SMILES:  CCC(=O)c1ccc(c(c1O)[C@@H]1C[C@@H]1N=C(N=c1ccc(c[nH]1)C#N)O)F
Standard InCHI:  InChI=1S/C19H17FN4O3/c1-2-15(25)11-4-5-13(20)17(18(11)26)12-7-14(12)23-19(27)24-16-6-3-10(8-21)9-22-16/h3-6,9,12,14,26H,2,7H2,1H3,(H2,22,23,24,27)/t12-,14+/m1/s1
Standard InCHIKey:  NKPHEWJJTGPRSL-OCCSQVGLSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD3286

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 0.7178 NPC236795
Intermediate Similarity 0.7126 NPC297322
Intermediate Similarity 0.7 NPC476444
Remote Similarity 0.6982 NPC119569
Remote Similarity 0.6923 NPC473804
Remote Similarity 0.6851 NPC314693
Remote Similarity 0.6829 NPC328070
Remote Similarity 0.6805 NPC13696
Remote Similarity 0.6786 NPC238108
Remote Similarity 0.6703 NPC66490
Remote Similarity 0.6667 NPC326966
Remote Similarity 0.6667 NPC473055
Remote Similarity 0.6667 NPC473052
Remote Similarity 0.6649 NPC291305
Remote Similarity 0.6646 NPC325651
Remote Similarity 0.6627 NPC48202
Remote Similarity 0.6627 NPC322526
Remote Similarity 0.6627 NPC471201
Remote Similarity 0.6626 NPC305717
Remote Similarity 0.6612 NPC101207
Remote Similarity 0.6556 NPC469243
Remote Similarity 0.6554 NPC68967
Remote Similarity 0.6541 NPC283760
Remote Similarity 0.6529 NPC471316
Remote Similarity 0.6526 NPC469973
Remote Similarity 0.6524 NPC476353
Remote Similarity 0.6522 NPC27581
Remote Similarity 0.6517 NPC473580
Remote Similarity 0.6514 NPC2672
Remote Similarity 0.6488 NPC267237
Remote Similarity 0.6485 NPC296712
Remote Similarity 0.6477 NPC295531
Remote Similarity 0.6471 NPC224584
Remote Similarity 0.6464 NPC475544
Remote Similarity 0.6456 NPC477453
Remote Similarity 0.6453 NPC33011
Remote Similarity 0.645 NPC470441
Remote Similarity 0.6448 NPC223207
Remote Similarity 0.6446 NPC478147
Remote Similarity 0.6437 NPC323798
Remote Similarity 0.6433 NPC118202
Remote Similarity 0.6432 NPC129486
Remote Similarity 0.6417 NPC54661
Remote Similarity 0.6417 NPC163924
Remote Similarity 0.6417 NPC475532
Remote Similarity 0.6417 NPC12890
Remote Similarity 0.6413 NPC304074
Remote Similarity 0.6413 NPC471771
Remote Similarity 0.6413 NPC290755
Remote Similarity 0.641 NPC283207
Remote Similarity 0.6398 NPC274198
Remote Similarity 0.6398 NPC198254
Remote Similarity 0.6383 NPC165285
Remote Similarity 0.638 NPC307174
Remote Similarity 0.6369 NPC242136
Remote Similarity 0.6369 NPC211421
Remote Similarity 0.6359 NPC329790
Remote Similarity 0.6358 NPC168861
Remote Similarity 0.6347 NPC473017
Remote Similarity 0.6347 NPC48248
Remote Similarity 0.6337 NPC249899
Remote Similarity 0.6337 NPC214988
Remote Similarity 0.6335 NPC313708
Remote Similarity 0.6335 NPC319950
Remote Similarity 0.6325 NPC62952
Remote Similarity 0.6325 NPC306765
Remote Similarity 0.6322 NPC472241
Remote Similarity 0.6319 NPC303737
Remote Similarity 0.6319 NPC474862
Remote Similarity 0.6316 NPC315406
Remote Similarity 0.6312 NPC121259
Remote Similarity 0.6312 NPC269414
Remote Similarity 0.631 NPC276506
Remote Similarity 0.6303 NPC142956
Remote Similarity 0.6296 NPC206778
Remote Similarity 0.6296 NPC285829
Remote Similarity 0.6294 NPC58685
Remote Similarity 0.6289 NPC317254
Remote Similarity 0.6289 NPC161304
Remote Similarity 0.6287 NPC105157
Remote Similarity 0.6287 NPC266689
Remote Similarity 0.6287 NPC162612
Remote Similarity 0.6287 NPC23126
Remote Similarity 0.6287 NPC103356
Remote Similarity 0.6287 NPC30501
Remote Similarity 0.6287 NPC190043
Remote Similarity 0.6287 NPC72158
Remote Similarity 0.6287 NPC98254
Remote Similarity 0.6287 NPC169250
Remote Similarity 0.6287 NPC100067
Remote Similarity 0.628 NPC309765
Remote Similarity 0.6279 NPC313694
Remote Similarity 0.6279 NPC242159
Remote Similarity 0.6273 NPC184527
Remote Similarity 0.6264 NPC91953
Remote Similarity 0.6263 NPC196243
Remote Similarity 0.6258 NPC473050
Remote Similarity 0.6258 NPC473051
Remote Similarity 0.6257 NPC280022
Remote Similarity 0.6257 NPC470019
Remote Similarity 0.6257 NPC115458
Remote Similarity 0.6256 NPC150308
Remote Similarity 0.625 NPC281686
Remote Similarity 0.625 NPC106551
Remote Similarity 0.625 NPC188867
Remote Similarity 0.625 NPC82963
Remote Similarity 0.625 NPC221777
Remote Similarity 0.625 NPC21305
Remote Similarity 0.6243 NPC153007
Remote Similarity 0.6242 NPC65761
Remote Similarity 0.6242 NPC472029
Remote Similarity 0.6242 NPC275410
Remote Similarity 0.6242 NPC477153
Remote Similarity 0.6235 NPC244866
Remote Similarity 0.6235 NPC188814
Remote Similarity 0.6235 NPC195262
Remote Similarity 0.6229 NPC326241
Remote Similarity 0.6228 NPC267846
Remote Similarity 0.6228 NPC473751
Remote Similarity 0.6228 NPC3224
Remote Similarity 0.6221 NPC208725
Remote Similarity 0.6215 NPC16188
Remote Similarity 0.6215 NPC472242
Remote Similarity 0.6213 NPC146647
Remote Similarity 0.6213 NPC474998
Remote Similarity 0.6213 NPC34414
Remote Similarity 0.6211 NPC38458
Remote Similarity 0.6211 NPC17698
Remote Similarity 0.6211 NPC311737
Remote Similarity 0.6207 NPC197921
Remote Similarity 0.6205 NPC173978
Remote Similarity 0.6205 NPC234890
Remote Similarity 0.6205 NPC74507
Remote Similarity 0.6205 NPC132751
Remote Similarity 0.6194 NPC228737
Remote Similarity 0.6194 NPC141523
Remote Similarity 0.619 NPC116513
Remote Similarity 0.619 NPC116057
Remote Similarity 0.6188 NPC240163
Remote Similarity 0.6188 NPC322197
Remote Similarity 0.6185 NPC316574
Remote Similarity 0.6182 NPC282577
Remote Similarity 0.6182 NPC91105
Remote Similarity 0.6182 NPC300274
Remote Similarity 0.6178 NPC474149
Remote Similarity 0.6176 NPC45191
Remote Similarity 0.6176 NPC55949
Remote Similarity 0.6173 NPC273282
Remote Similarity 0.6173 NPC474890
Remote Similarity 0.6173 NPC41567
Remote Similarity 0.6173 NPC161943
Remote Similarity 0.6168 NPC475733
Remote Similarity 0.6168 NPC477937
Remote Similarity 0.6159 NPC178395
Remote Similarity 0.6159 NPC179092
Remote Similarity 0.6159 NPC26433
Remote Similarity 0.6159 NPC301987
Remote Similarity 0.6159 NPC35856
Remote Similarity 0.6159 NPC115188
Remote Similarity 0.6159 NPC292665
Remote Similarity 0.6159 NPC159760
Remote Similarity 0.6159 NPC244994
Remote Similarity 0.6159 NPC222876
Remote Similarity 0.6159 NPC272454
Remote Similarity 0.6158 NPC317727
Remote Similarity 0.6154 NPC282923
Remote Similarity 0.6154 NPC96024
Remote Similarity 0.6149 NPC272268
Remote Similarity 0.6149 NPC108288
Remote Similarity 0.6149 NPC83718
Remote Similarity 0.6145 NPC375356
Remote Similarity 0.6145 NPC275145
Remote Similarity 0.6145 NPC285394
Remote Similarity 0.614 NPC244699
Remote Similarity 0.614 NPC475042
Remote Similarity 0.6138 NPC471778
Remote Similarity 0.6135 NPC239697
Remote Similarity 0.6135 NPC184579
Remote Similarity 0.6135 NPC473767
Remote Similarity 0.6135 NPC233165
Remote Similarity 0.6134 NPC327005
Remote Similarity 0.6131 NPC227741
Remote Similarity 0.6131 NPC160499
Remote Similarity 0.6131 NPC295202
Remote Similarity 0.6131 NPC49647
Remote Similarity 0.6131 NPC136342
Remote Similarity 0.6131 NPC231774
Remote Similarity 0.6129 NPC475983
Remote Similarity 0.6127 NPC161964
Remote Similarity 0.6127 NPC166480
Remote Similarity 0.6127 NPC475088
Remote Similarity 0.6127 NPC472262
Remote Similarity 0.6127 NPC6913
Remote Similarity 0.6127 NPC287604
Remote Similarity 0.6127 NPC282780
Remote Similarity 0.6125 NPC118288
Remote Similarity 0.6125 NPC276111
Remote Similarity 0.6121 NPC215392
Remote Similarity 0.6121 NPC142577
Remote Similarity 0.6121 NPC196976

Drug Structure

External Identifiers

TTD   DIB008556
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  368.13
ALogP  -0.9103
MLogP  2.67
XLogP  2.236
HDA  6
HBD  3
Rotatable Bonds  9
TPSA  118.07
RO5 Violation  0