Drug Information

Drug ID:  NPD425
Drug Name:  Inamrinone
Molecular Formula:  C10H9N3O
Canonical SMILES:  Oc1ncc(cc1N)c1ccncc1
Standard InCHI:  InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)
Standard InCHIKey:  RNLQIBCLLYYYFJ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD425

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 0.8519 NPC97367
Intermediate Similarity 0.8212 NPC192315
Intermediate Similarity 0.8171 NPC25899
Intermediate Similarity 0.8167 NPC476167
Intermediate Similarity 0.8121 NPC48192
Intermediate Similarity 0.8095 NPC473764
Intermediate Similarity 0.8095 NPC314940
Intermediate Similarity 0.8034 NPC324149
Intermediate Similarity 0.8024 NPC471178
Intermediate Similarity 0.8012 NPC59779
Intermediate Similarity 0.8012 NPC124542
Intermediate Similarity 0.8012 NPC471177
Intermediate Similarity 0.7989 NPC48938
Intermediate Similarity 0.7784 NPC220765
Intermediate Similarity 0.7754 NPC470500
Intermediate Similarity 0.7754 NPC475070
Intermediate Similarity 0.7751 NPC473057
Intermediate Similarity 0.775 NPC60553
Intermediate Similarity 0.774 NPC204717
Intermediate Similarity 0.7733 NPC252590
Intermediate Similarity 0.7727 NPC161887
Intermediate Similarity 0.7713 NPC477113
Intermediate Similarity 0.7712 NPC306397
Intermediate Similarity 0.7697 NPC314002
Intermediate Similarity 0.7697 NPC151489
Intermediate Similarity 0.7692 NPC329541
Intermediate Similarity 0.7667 NPC472289
Intermediate Similarity 0.7657 NPC184964
Intermediate Similarity 0.7654 NPC171171
Intermediate Similarity 0.7644 NPC5145
Intermediate Similarity 0.7633 NPC63338
Intermediate Similarity 0.7633 NPC322976
Intermediate Similarity 0.7633 NPC324203
Intermediate Similarity 0.7633 NPC131718
Intermediate Similarity 0.7632 NPC477111
Intermediate Similarity 0.7611 NPC46580
Intermediate Similarity 0.76 NPC150048
Intermediate Similarity 0.76 NPC203754
Intermediate Similarity 0.7597 NPC212125
Intermediate Similarity 0.7558 NPC108469
Intermediate Similarity 0.7553 NPC211813
Intermediate Similarity 0.7542 NPC284678
Intermediate Similarity 0.7541 NPC99666
Intermediate Similarity 0.7528 NPC219963
Intermediate Similarity 0.7528 NPC266551
Intermediate Similarity 0.7514 NPC232340
Intermediate Similarity 0.7513 NPC213530
Intermediate Similarity 0.7513 NPC193267
Intermediate Similarity 0.7513 NPC53144
Intermediate Similarity 0.75 NPC63562
Intermediate Similarity 0.75 NPC304926
Intermediate Similarity 0.75 NPC476041
Intermediate Similarity 0.7485 NPC315214
Intermediate Similarity 0.7485 NPC47298
Intermediate Similarity 0.7458 NPC96890
Intermediate Similarity 0.7447 NPC19872
Intermediate Similarity 0.7447 NPC176538
Intermediate Similarity 0.7442 NPC32028
Intermediate Similarity 0.7442 NPC159319
Intermediate Similarity 0.7442 NPC102423
Intermediate Similarity 0.7438 NPC29702
Intermediate Similarity 0.7429 NPC121658
Intermediate Similarity 0.7429 NPC14651
Intermediate Similarity 0.7421 NPC476138
Intermediate Similarity 0.7421 NPC200836
Intermediate Similarity 0.7421 NPC245816
Intermediate Similarity 0.7412 NPC132680
Intermediate Similarity 0.7412 NPC269919
Intermediate Similarity 0.7407 NPC232727
Intermediate Similarity 0.7405 NPC174421
Intermediate Similarity 0.7405 NPC324611
Intermediate Similarity 0.7386 NPC259545
Intermediate Similarity 0.7382 NPC472259
Intermediate Similarity 0.738 NPC77555
Intermediate Similarity 0.7372 NPC165370
Intermediate Similarity 0.7371 NPC256828
Intermediate Similarity 0.7371 NPC476518
Intermediate Similarity 0.7368 NPC84508
Intermediate Similarity 0.7365 NPC288445
Intermediate Similarity 0.7362 NPC318935
Intermediate Similarity 0.736 NPC477110
Intermediate Similarity 0.736 NPC8022
Intermediate Similarity 0.736 NPC470799
Intermediate Similarity 0.7358 NPC18348
Intermediate Similarity 0.7349 NPC220523
Intermediate Similarity 0.7344 NPC476121
Intermediate Similarity 0.7344 NPC476124
Intermediate Similarity 0.7326 NPC279918
Intermediate Similarity 0.7326 NPC242209
Intermediate Similarity 0.7296 NPC256893
Intermediate Similarity 0.7288 NPC111624
Intermediate Similarity 0.7287 NPC267928
Intermediate Similarity 0.7287 NPC156704
Intermediate Similarity 0.7283 NPC32771
Intermediate Similarity 0.7283 NPC282231
Intermediate Similarity 0.7282 NPC167860
Intermediate Similarity 0.7282 NPC123976
Intermediate Similarity 0.7282 NPC85273
Intermediate Similarity 0.7273 NPC126481
Intermediate Similarity 0.7273 NPC164664
Intermediate Similarity 0.7263 NPC45459
Intermediate Similarity 0.7263 NPC315957
Intermediate Similarity 0.7263 NPC315491
Intermediate Similarity 0.7261 NPC471311
Intermediate Similarity 0.7261 NPC471313
Intermediate Similarity 0.7255 NPC6215
Intermediate Similarity 0.7253 NPC284559
Intermediate Similarity 0.7251 NPC141353
Intermediate Similarity 0.7249 NPC212213
Intermediate Similarity 0.7246 NPC161292
Intermediate Similarity 0.7241 NPC211187
Intermediate Similarity 0.7241 NPC263439
Intermediate Similarity 0.7236 NPC469727
Intermediate Similarity 0.7233 NPC476451
Intermediate Similarity 0.7233 NPC282398
Intermediate Similarity 0.7222 NPC72980
Intermediate Similarity 0.7222 NPC42979
Intermediate Similarity 0.7222 NPC328029
Intermediate Similarity 0.7219 NPC226202
Intermediate Similarity 0.7216 NPC44161
Intermediate Similarity 0.7213 NPC20249
Intermediate Similarity 0.7207 NPC224764
Intermediate Similarity 0.7202 NPC470505
Intermediate Similarity 0.7191 NPC313791
Intermediate Similarity 0.7191 NPC471294
Intermediate Similarity 0.7186 NPC159856
Intermediate Similarity 0.7178 NPC470502
Intermediate Similarity 0.7176 NPC153769
Intermediate Similarity 0.7173 NPC249040
Intermediate Similarity 0.7168 NPC230869
Intermediate Similarity 0.7159 NPC49954
Intermediate Similarity 0.7159 NPC474561
Intermediate Similarity 0.7159 NPC54988
Intermediate Similarity 0.7158 NPC265576
Intermediate Similarity 0.715 NPC27041
Intermediate Similarity 0.7143 NPC314394
Intermediate Similarity 0.7143 NPC63545
Intermediate Similarity 0.7143 NPC470501
Intermediate Similarity 0.7135 NPC469765
Intermediate Similarity 0.7135 NPC469760
Intermediate Similarity 0.7135 NPC469786
Intermediate Similarity 0.7135 NPC73952
Intermediate Similarity 0.7135 NPC469763
Intermediate Similarity 0.7135 NPC259644
Intermediate Similarity 0.7135 NPC25008
Intermediate Similarity 0.7134 NPC166424
Intermediate Similarity 0.7134 NPC245244
Intermediate Similarity 0.7134 NPC146373
Intermediate Similarity 0.7128 NPC307963
Intermediate Similarity 0.7127 NPC164340
Intermediate Similarity 0.7121 NPC471603
Intermediate Similarity 0.7119 NPC63751
Intermediate Similarity 0.7113 NPC264166
Intermediate Similarity 0.7113 NPC274291
Intermediate Similarity 0.7113 NPC165349
Intermediate Similarity 0.7113 NPC329708
Intermediate Similarity 0.7113 NPC118832
Intermediate Similarity 0.7113 NPC47059
Intermediate Similarity 0.711 NPC129721
Intermediate Similarity 0.7108 NPC470503
Intermediate Similarity 0.7104 NPC133306
Intermediate Similarity 0.7101 NPC179787
Intermediate Similarity 0.7101 NPC469811
Intermediate Similarity 0.7101 NPC201380
Intermediate Similarity 0.7098 NPC57398
Intermediate Similarity 0.7097 NPC296527
Intermediate Similarity 0.7093 NPC70922
Intermediate Similarity 0.7093 NPC80597
Intermediate Similarity 0.7093 NPC75540
Intermediate Similarity 0.7093 NPC211572
Intermediate Similarity 0.7093 NPC212376
Intermediate Similarity 0.709 NPC326634
Intermediate Similarity 0.7086 NPC177404
Intermediate Similarity 0.7085 NPC476287
Intermediate Similarity 0.7083 NPC213308
Intermediate Similarity 0.7081 NPC62749
Intermediate Similarity 0.7075 NPC477861
Intermediate Similarity 0.7068 NPC239954
Intermediate Similarity 0.7062 NPC41717
Intermediate Similarity 0.7062 NPC160105
Intermediate Similarity 0.7059 NPC76748
Intermediate Similarity 0.7059 NPC321911
Intermediate Similarity 0.7059 NPC3715
Intermediate Similarity 0.7056 NPC185782
Intermediate Similarity 0.7053 NPC251090
Intermediate Similarity 0.7053 NPC222018
Intermediate Similarity 0.7052 NPC469785
Intermediate Similarity 0.7039 NPC158129
Intermediate Similarity 0.7037 NPC198673
Intermediate Similarity 0.7031 NPC287437
Intermediate Similarity 0.7029 NPC120798
Intermediate Similarity 0.7027 NPC15102
Intermediate Similarity 0.7024 NPC471323
Intermediate Similarity 0.7022 NPC317430
Intermediate Similarity 0.7021 NPC92111
Intermediate Similarity 0.702 NPC309845
Intermediate Similarity 0.7019 NPC315320
Intermediate Similarity 0.7018 NPC105818
Intermediate Similarity 0.7018 NPC24678
Intermediate Similarity 0.7016 NPC106824

Drug Structure

External Identifiers

TTD   DAP000610; DAP001392
DrugBank   DB01427
ChEMBL   CHEMBL12856
IUPHAR/BPS   7202
PharmaGKB   PA164746803
KEGG Drug   D00231
PubChem CID   3698
ChEBI   2686
CAS Number  60719-84-8

Drug Properties

Molecular Weight  187.07
ALogP  -1.2102
MLogP  2.12
XLogP  0.904
HDA  3
HBD  2
Rotatable Bonds  3
TPSA  72.03
RO5 Violation  0