Drug Information

Drug ID:  NPD926
Drug Name:  Milrinone
Molecular Formula:  C12H9N3O
Canonical SMILES:  N#Cc1cc(c2ccncc2)c(nc1O)C
Standard InCHI:  InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
Standard InCHIKey:  PZRHRDRVRGEVNW-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD926

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 0.8688 NPC97367
Intermediate Similarity 0.8182 NPC471178
Intermediate Similarity 0.8171 NPC124542
Intermediate Similarity 0.8171 NPC471177
Intermediate Similarity 0.8171 NPC59779
Intermediate Similarity 0.8034 NPC329541
Intermediate Similarity 0.8025 NPC60553
Intermediate Similarity 0.8012 NPC473057
Intermediate Similarity 0.8 NPC25899
Intermediate Similarity 0.7929 NPC473764
Intermediate Similarity 0.7929 NPC314940
Intermediate Similarity 0.7844 NPC48192
Intermediate Similarity 0.7831 NPC84508
Intermediate Similarity 0.7811 NPC108469
Intermediate Similarity 0.7809 NPC472289
Intermediate Similarity 0.7784 NPC204717
Intermediate Similarity 0.7763 NPC212125
Intermediate Similarity 0.7759 NPC232340
Intermediate Similarity 0.7748 NPC151489
Intermediate Similarity 0.7746 NPC150048
Intermediate Similarity 0.7746 NPC203754
Intermediate Similarity 0.774 NPC314002
Intermediate Similarity 0.7738 NPC47298
Intermediate Similarity 0.7738 NPC315214
Intermediate Similarity 0.7733 NPC471294
Intermediate Similarity 0.7727 NPC220765
Intermediate Similarity 0.7717 NPC476167
Intermediate Similarity 0.7716 NPC161292
Intermediate Similarity 0.7697 NPC171171
Intermediate Similarity 0.7692 NPC159319
Intermediate Similarity 0.7692 NPC32028
Intermediate Similarity 0.7677 NPC256893
Intermediate Similarity 0.7663 NPC192315
Intermediate Similarity 0.7654 NPC46580
Intermediate Similarity 0.7651 NPC63562
Intermediate Similarity 0.763 NPC111624
Intermediate Similarity 0.763 NPC259545
Intermediate Similarity 0.7627 NPC133306
Intermediate Similarity 0.7582 NPC324149
Intermediate Similarity 0.7574 NPC324203
Intermediate Similarity 0.7574 NPC63338
Intermediate Similarity 0.7574 NPC322976
Intermediate Similarity 0.7574 NPC131718
Intermediate Similarity 0.7572 NPC252590
Intermediate Similarity 0.7562 NPC280853
Intermediate Similarity 0.756 NPC129721
Intermediate Similarity 0.756 NPC132680
Intermediate Similarity 0.756 NPC269919
Intermediate Similarity 0.7532 NPC306397
Intermediate Similarity 0.753 NPC153769
Intermediate Similarity 0.7516 NPC245657
Intermediate Similarity 0.7516 NPC285016
Intermediate Similarity 0.7513 NPC475070
Intermediate Similarity 0.75 NPC211813
Intermediate Similarity 0.75 NPC471596
Intermediate Similarity 0.75 NPC184964
Intermediate Similarity 0.7486 NPC284559
Intermediate Similarity 0.7486 NPC99666
Intermediate Similarity 0.746 NPC53144
Intermediate Similarity 0.7452 NPC324611
Intermediate Similarity 0.7433 NPC287437
Intermediate Similarity 0.743 NPC48938
Intermediate Similarity 0.7427 NPC177404
Intermediate Similarity 0.7419 NPC165370
Intermediate Similarity 0.7419 NPC471311
Intermediate Similarity 0.7419 NPC471313
Intermediate Similarity 0.7419 NPC224928
Intermediate Similarity 0.7414 NPC164664
Intermediate Similarity 0.7414 NPC126481
Intermediate Similarity 0.7401 NPC96890
Intermediate Similarity 0.7396 NPC477111
Intermediate Similarity 0.7384 NPC263439
Intermediate Similarity 0.7384 NPC211187
Intermediate Similarity 0.7384 NPC102423
Intermediate Similarity 0.7382 NPC477113
Intermediate Similarity 0.7382 NPC476121
Intermediate Similarity 0.7382 NPC476124
Intermediate Similarity 0.7378 NPC471598
Intermediate Similarity 0.7375 NPC29702
Intermediate Similarity 0.7375 NPC328029
Intermediate Similarity 0.7371 NPC158129
Intermediate Similarity 0.7368 NPC200836
Intermediate Similarity 0.7366 NPC242209
Intermediate Similarity 0.736 NPC72980
Intermediate Similarity 0.733 NPC47059
Intermediate Similarity 0.733 NPC165349
Intermediate Similarity 0.733 NPC274291
Intermediate Similarity 0.733 NPC329708
Intermediate Similarity 0.733 NPC264166
Intermediate Similarity 0.733 NPC118832
Intermediate Similarity 0.7326 NPC77555
Intermediate Similarity 0.7322 NPC32771
Intermediate Similarity 0.7314 NPC256828
Intermediate Similarity 0.7299 NPC41717
Intermediate Similarity 0.7297 NPC133140
Intermediate Similarity 0.7297 NPC195268
Intermediate Similarity 0.7289 NPC220523
Intermediate Similarity 0.7286 NPC193267
Intermediate Similarity 0.7286 NPC213530
Intermediate Similarity 0.7278 NPC161887
Intermediate Similarity 0.7278 NPC219963
Intermediate Similarity 0.7278 NPC266551
Intermediate Similarity 0.7273 NPC14651
Intermediate Similarity 0.7273 NPC304926
Intermediate Similarity 0.7273 NPC13880
Intermediate Similarity 0.7273 NPC476041
Intermediate Similarity 0.7273 NPC121658
Intermediate Similarity 0.7263 NPC164340
Intermediate Similarity 0.7259 NPC237740
Intermediate Similarity 0.7257 NPC44161
Intermediate Similarity 0.7247 NPC288943
Intermediate Similarity 0.7245 NPC202605
Intermediate Similarity 0.7245 NPC112206
Intermediate Similarity 0.724 NPC470500
Intermediate Similarity 0.7234 NPC156704
Intermediate Similarity 0.7232 NPC313791
Intermediate Similarity 0.7231 NPC5145
Intermediate Similarity 0.7231 NPC85273
Intermediate Similarity 0.7225 NPC282231
Intermediate Similarity 0.7216 NPC476518
Intermediate Similarity 0.7211 NPC176538
Intermediate Similarity 0.7209 NPC230869
Intermediate Similarity 0.7207 NPC283152
Intermediate Similarity 0.7202 NPC470164
Intermediate Similarity 0.7202 NPC323345
Intermediate Similarity 0.72 NPC98187
Intermediate Similarity 0.7198 NPC207851
Intermediate Similarity 0.7193 NPC141353
Intermediate Similarity 0.7191 NPC303225
Intermediate Similarity 0.7189 NPC3715
Intermediate Similarity 0.7181 NPC251090
Intermediate Similarity 0.7178 NPC471594
Intermediate Similarity 0.7176 NPC469763
Intermediate Similarity 0.7176 NPC469786
Intermediate Similarity 0.7176 NPC73952
Intermediate Similarity 0.7176 NPC25008
Intermediate Similarity 0.7176 NPC469760
Intermediate Similarity 0.7176 NPC259644
Intermediate Similarity 0.7176 NPC469765
Intermediate Similarity 0.7173 NPC232727
Intermediate Similarity 0.7171 NPC91958
Intermediate Similarity 0.7169 NPC471323
Intermediate Similarity 0.7168 NPC279918
Intermediate Similarity 0.7166 NPC307963
Intermediate Similarity 0.7159 NPC278874
Intermediate Similarity 0.7158 NPC476578
Intermediate Similarity 0.7158 NPC476582
Intermediate Similarity 0.7158 NPC4071
Intermediate Similarity 0.7151 NPC134586
Intermediate Similarity 0.7143 NPC90229
Intermediate Similarity 0.7143 NPC11464
Intermediate Similarity 0.7136 NPC477110
Intermediate Similarity 0.7135 NPC80597
Intermediate Similarity 0.7135 NPC75540
Intermediate Similarity 0.7135 NPC212376
Intermediate Similarity 0.7135 NPC224327
Intermediate Similarity 0.7135 NPC44354
Intermediate Similarity 0.7135 NPC183805
Intermediate Similarity 0.7135 NPC70922
Intermediate Similarity 0.7135 NPC296527
Intermediate Similarity 0.7135 NPC211572
Intermediate Similarity 0.7128 NPC146724
Intermediate Similarity 0.7128 NPC18348
Intermediate Similarity 0.7126 NPC159856
Intermediate Similarity 0.7125 NPC174421
Intermediate Similarity 0.712 NPC249040
Intermediate Similarity 0.712 NPC213308
Intermediate Similarity 0.712 NPC315491
Intermediate Similarity 0.712 NPC45459
Intermediate Similarity 0.7117 NPC150259
Intermediate Similarity 0.7111 NPC211997
Intermediate Similarity 0.7105 NPC212213
Intermediate Similarity 0.7104 NPC284678
Intermediate Similarity 0.7102 NPC49954
Intermediate Similarity 0.7102 NPC474561
Intermediate Similarity 0.7098 NPC245816
Intermediate Similarity 0.7098 NPC475774
Intermediate Similarity 0.7098 NPC476138
Intermediate Similarity 0.7097 NPC76748
Intermediate Similarity 0.7091 NPC318935
Intermediate Similarity 0.7089 NPC278451
Intermediate Similarity 0.7079 NPC476688
Intermediate Similarity 0.7079 NPC476686
Intermediate Similarity 0.7079 NPC105758
Intermediate Similarity 0.7076 NPC26872
Intermediate Similarity 0.7074 NPC289786
Intermediate Similarity 0.7074 NPC106937
Intermediate Similarity 0.7072 NPC88363
Intermediate Similarity 0.7063 NPC315320
Intermediate Similarity 0.7062 NPC36229
Intermediate Similarity 0.7062 NPC16452
Intermediate Similarity 0.7062 NPC285558
Intermediate Similarity 0.7062 NPC472259
Intermediate Similarity 0.7062 NPC476581
Intermediate Similarity 0.7059 NPC24678
Intermediate Similarity 0.7059 NPC92111
Intermediate Similarity 0.7059 NPC105818
Intermediate Similarity 0.7056 NPC290689
Intermediate Similarity 0.7056 NPC123976
Intermediate Similarity 0.7056 NPC309845

Drug Structure

External Identifiers

TTD   DAP000150
DrugBank   DB00235
ChEMBL   CHEMBL189
IUPHAR/BPS   5225
PharmaGKB   PA164749171
KEGG Drug   D00417
PubChem CID   4197
ChEBI   50693
CAS Number  78415-72-2

Drug Properties

Molecular Weight  211.07
ALogP  0.0139
MLogP  2.34
XLogP  1.35
HDA  3
HBD  1
Rotatable Bonds  3
TPSA  69.8
RO5 Violation  0