Drug Information

Drug ID:  NPD9510
Drug Name:  Pyridoxal
Molecular Formula:  C8H9NO3
Canonical SMILES:  O=Cc1c(CO)cnc(c1O)C
Standard InCHI:  InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3
Standard InCHIKey:  RADKZDMFGJYCBB-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD9510

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 1.0 NPC325705
High Similarity 1.0 NPC52831
High Similarity 0.9521 NPC36498
High Similarity 0.8938 NPC63562
High Similarity 0.8827 NPC269919
High Similarity 0.8827 NPC132680
High Similarity 0.872 NPC324203
High Similarity 0.872 NPC63338
High Similarity 0.872 NPC322976
High Similarity 0.8614 NPC263439
High Similarity 0.8503 NPC211187
Intermediate Similarity 0.8304 NPC256828
Intermediate Similarity 0.7841 NPC253810
Intermediate Similarity 0.7574 NPC220523
Intermediate Similarity 0.7554 NPC207851
Intermediate Similarity 0.7514 NPC241025
Intermediate Similarity 0.7444 NPC273532
Intermediate Similarity 0.7419 NPC295158
Intermediate Similarity 0.7407 NPC114974
Intermediate Similarity 0.7374 NPC41717
Intermediate Similarity 0.7348 NPC302647
Intermediate Similarity 0.7333 NPC155792
Intermediate Similarity 0.7304 NPC314270
Intermediate Similarity 0.7302 NPC75544
Intermediate Similarity 0.7299 NPC153769
Intermediate Similarity 0.7268 NPC472284
Intermediate Similarity 0.7263 NPC3715
Intermediate Similarity 0.7253 NPC249614
Intermediate Similarity 0.7216 NPC263455
Intermediate Similarity 0.72 NPC284348
Intermediate Similarity 0.7191 NPC113812
Intermediate Similarity 0.7188 NPC56170
Intermediate Similarity 0.7158 NPC252590
Intermediate Similarity 0.715 NPC183777
Intermediate Similarity 0.715 NPC316403
Intermediate Similarity 0.7143 NPC311282
Intermediate Similarity 0.7136 NPC472259
Intermediate Similarity 0.7135 NPC116573
Intermediate Similarity 0.7128 NPC90229
Intermediate Similarity 0.7104 NPC473764
Intermediate Similarity 0.7104 NPC314940
Intermediate Similarity 0.71 NPC472286
Intermediate Similarity 0.71 NPC472287
Intermediate Similarity 0.7077 NPC109922
Intermediate Similarity 0.7069 NPC302159
Intermediate Similarity 0.7069 NPC161292
Intermediate Similarity 0.7059 NPC164340
Intermediate Similarity 0.7052 NPC471598
Intermediate Similarity 0.7031 NPC44354
Intermediate Similarity 0.703 NPC171787
Intermediate Similarity 0.7029 NPC257142
Intermediate Similarity 0.7026 NPC146724
Intermediate Similarity 0.7021 NPC317010
Intermediate Similarity 0.7019 NPC313804
Intermediate Similarity 0.7019 NPC315804
Intermediate Similarity 0.7016 NPC194040
Intermediate Similarity 0.7011 NPC167400
Intermediate Similarity 0.7006 NPC174421
Intermediate Similarity 0.7 NPC317572
Intermediate Similarity 0.7 NPC114310
Remote Similarity 0.6994 NPC470394
Remote Similarity 0.6994 NPC470404
Remote Similarity 0.6994 NPC470403
Remote Similarity 0.6989 NPC303225
Remote Similarity 0.6989 NPC139763
Remote Similarity 0.6977 NPC318935
Remote Similarity 0.6976 NPC219087
Remote Similarity 0.6961 NPC309845
Remote Similarity 0.6959 NPC471596
Remote Similarity 0.6948 NPC244536
Remote Similarity 0.6939 NPC93390
Remote Similarity 0.693 NPC477112
Remote Similarity 0.6919 NPC280853
Remote Similarity 0.6914 NPC470395
Remote Similarity 0.6908 NPC237740
Remote Similarity 0.6907 NPC144381
Remote Similarity 0.6897 NPC193238
Remote Similarity 0.6888 NPC473821
Remote Similarity 0.6887 NPC205372
Remote Similarity 0.6885 NPC473057
Remote Similarity 0.6879 NPC245657
Remote Similarity 0.6879 NPC285016
Remote Similarity 0.6872 NPC312860
Remote Similarity 0.6872 NPC107287
Remote Similarity 0.6869 NPC473814
Remote Similarity 0.6869 NPC78767
Remote Similarity 0.6867 NPC165370
Remote Similarity 0.6866 NPC328596
Remote Similarity 0.6866 NPC328318
Remote Similarity 0.6853 NPC135950
Remote Similarity 0.6848 NPC471178
Remote Similarity 0.6847 NPC316224
Remote Similarity 0.6842 NPC328029
Remote Similarity 0.6842 NPC29702
Remote Similarity 0.6811 NPC108469
Remote Similarity 0.6802 NPC230403
Remote Similarity 0.68 NPC103361
Remote Similarity 0.68 NPC123395
Remote Similarity 0.6794 NPC477110
Remote Similarity 0.6792 NPC253314
Remote Similarity 0.6784 NPC74153
Remote Similarity 0.6772 NPC194724
Remote Similarity 0.6766 NPC212125
Remote Similarity 0.6766 NPC213308
Remote Similarity 0.6765 NPC322488
Remote Similarity 0.6763 NPC471594
Remote Similarity 0.6763 NPC294375
Remote Similarity 0.6761 NPC159630
Remote Similarity 0.6761 NPC230085
Remote Similarity 0.6754 NPC478032
Remote Similarity 0.675 NPC317672
Remote Similarity 0.675 NPC59033
Remote Similarity 0.6742 NPC112741
Remote Similarity 0.674 NPC209362
Remote Similarity 0.6736 NPC320394
Remote Similarity 0.6732 NPC283117
Remote Similarity 0.6719 NPC219963
Remote Similarity 0.6716 NPC25442
Remote Similarity 0.6716 NPC12944
Remote Similarity 0.6716 NPC476167
Remote Similarity 0.6716 NPC280714
Remote Similarity 0.6715 NPC470020
Remote Similarity 0.67 NPC57398
Remote Similarity 0.67 NPC156704
Remote Similarity 0.67 NPC329024
Remote Similarity 0.6698 NPC74360
Remote Similarity 0.6685 NPC25899
Remote Similarity 0.6684 NPC44161
Remote Similarity 0.6683 NPC79223
Remote Similarity 0.6683 NPC317373
Remote Similarity 0.6682 NPC472285
Remote Similarity 0.6682 NPC182222
Remote Similarity 0.6667 NPC192315
Remote Similarity 0.6667 NPC213914
Remote Similarity 0.6667 NPC118084
Remote Similarity 0.6667 NPC138018
Remote Similarity 0.6667 NPC200836
Remote Similarity 0.665 NPC53344
Remote Similarity 0.665 NPC469489
Remote Similarity 0.665 NPC154339
Remote Similarity 0.665 NPC156044
Remote Similarity 0.665 NPC32451
Remote Similarity 0.665 NPC88008
Remote Similarity 0.6649 NPC124542
Remote Similarity 0.6649 NPC59779
Remote Similarity 0.6649 NPC471177
Remote Similarity 0.6635 NPC5145
Remote Similarity 0.6634 NPC327592
Remote Similarity 0.6633 NPC267343
Remote Similarity 0.6633 NPC46580
Remote Similarity 0.663 NPC84508
Remote Similarity 0.6619 NPC250448
Remote Similarity 0.6618 NPC211813
Remote Similarity 0.6617 NPC224928
Remote Similarity 0.6615 NPC314002
Remote Similarity 0.6613 NPC97367
Remote Similarity 0.6605 NPC478141
Remote Similarity 0.6601 NPC315491
Remote Similarity 0.6601 NPC45459
Remote Similarity 0.6599 NPC183805
Remote Similarity 0.6588 NPC146976
Remote Similarity 0.6585 NPC53144
Remote Similarity 0.6584 NPC324245
Remote Similarity 0.6584 NPC320748
Remote Similarity 0.6583 NPC471448
Remote Similarity 0.658 NPC471997
Remote Similarity 0.6577 NPC477549
Remote Similarity 0.6573 NPC131885
Remote Similarity 0.6569 NPC328559
Remote Similarity 0.6568 NPC306397
Remote Similarity 0.6564 NPC204717
Remote Similarity 0.6562 NPC96890
Remote Similarity 0.6561 NPC172222
Remote Similarity 0.656 NPC186351
Remote Similarity 0.6559 NPC48192
Remote Similarity 0.6557 NPC470799
Remote Similarity 0.6557 NPC8022
Remote Similarity 0.6555 NPC303951
Remote Similarity 0.6552 NPC474767
Remote Similarity 0.655 NPC134637
Remote Similarity 0.655 NPC226202
Remote Similarity 0.6548 NPC206186
Remote Similarity 0.6548 NPC278434
Remote Similarity 0.6548 NPC151489
Remote Similarity 0.6546 NPC266551
Remote Similarity 0.6546 NPC161887
Remote Similarity 0.6544 NPC97746
Remote Similarity 0.654 NPC236668
Remote Similarity 0.6538 NPC18348
Remote Similarity 0.6538 NPC210828
Remote Similarity 0.6538 NPC477111
Remote Similarity 0.6538 NPC86834
Remote Similarity 0.6537 NPC470678
Remote Similarity 0.6531 NPC282103
Remote Similarity 0.653 NPC246381
Remote Similarity 0.6528 NPC216612
Remote Similarity 0.6526 NPC293151
Remote Similarity 0.6524 NPC146418
Remote Similarity 0.6524 NPC23294
Remote Similarity 0.6519 NPC123906

Drug Structure

External Identifiers

TTD  
DrugBank   DB00147
ChEMBL   CHEMBL102970
IUPHAR/BPS  
PharmaGKB   PA164749166
KEGG Drug  
PubChem CID  
ChEBI   17310
CAS Number  66-72-8

Drug Properties

Molecular Weight  167.06
ALogP  -0.6619
MLogP  1.9
XLogP  -0.006
HDA  3
HBD  2
Rotatable Bonds  5
TPSA  70.42
RO5 Violation  0