Drug ID:   | NPD9363 |
Drug Name:   | Pyridoxal 5-Phosphate Glutamic Acid |
Molecular Formula:   | C8H10NO6P.C5H10N2O3 |
Canonical SMILES:   | OC(=N)CC[C@@H](C(=O)O)N.O=Cc1c(COP(=O)(O)O)cnc(c1O)C |
Standard InCHI:   | InChI=1S/C8H10NO6P.C5H10N2O3/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14;6-3(5(9)10)1-2-4(7)8/h2-3,11H,4H2,1H3,(H2,12,13,14);3H,1-2,6H2,(H2,7,8)(H,9,10)/t;3-/m.0/s1 |
Standard InCHIKey:   | BCARVEADLDZBJT-HVDRVSQOSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL |
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.
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 | NPC36498 |
High Similarity | 0.9521 | NPC52831 |
High Similarity | 0.9521 | NPC325705 |
High Similarity | 0.8976 | NPC211187 |
High Similarity | 0.8765 | NPC256828 |
High Similarity | 0.8503 | NPC63562 |
Intermediate Similarity | 0.8402 | NPC269919 |
Intermediate Similarity | 0.8402 | NPC132680 |
Intermediate Similarity | 0.8304 | NPC324203 |
Intermediate Similarity | 0.8304 | NPC63338 |
Intermediate Similarity | 0.8304 | NPC322976 |
Intermediate Similarity | 0.8208 | NPC263439 |
Intermediate Similarity | 0.7582 | NPC253810 |
Intermediate Similarity | 0.7297 | NPC273532 |
Intermediate Similarity | 0.7225 | NPC207851 |
Intermediate Similarity | 0.7216 | NPC220523 |
Intermediate Similarity | 0.7188 | NPC241025 |
Intermediate Similarity | 0.7179 | NPC114974 |
Intermediate Similarity | 0.7135 | NPC41717 |
Intermediate Similarity | 0.7114 | NPC155792 |
Intermediate Similarity | 0.7112 | NPC302647 |
Intermediate Similarity | 0.7098 | NPC295158 |
Intermediate Similarity | 0.7095 | NPC314270 |
Intermediate Similarity | 0.7077 | NPC75544 |
Intermediate Similarity | 0.7056 | NPC56170 |
Intermediate Similarity | 0.705 | NPC472284 |
Intermediate Similarity | 0.7021 | NPC249614 |
Remote Similarity | 0.6961 | NPC153769 |
Remote Similarity | 0.6957 | NPC113812 |
Remote Similarity | 0.6954 | NPC3715 |
Remote Similarity | 0.695 | NPC109922 |
Remote Similarity | 0.6942 | NPC316403 |
Remote Similarity | 0.6942 | NPC183777 |
Remote Similarity | 0.6931 | NPC252590 |
Remote Similarity | 0.6927 | NPC472259 |
Remote Similarity | 0.6923 | NPC311282 |
Remote Similarity | 0.6915 | NPC90229 |
Remote Similarity | 0.6902 | NPC116573 |
Remote Similarity | 0.69 | NPC146724 |
Remote Similarity | 0.6893 | NPC472287 |
Remote Similarity | 0.6893 | NPC472286 |
Remote Similarity | 0.6885 | NPC263455 |
Remote Similarity | 0.6878 | NPC314940 |
Remote Similarity | 0.6878 | NPC473764 |
Remote Similarity | 0.6878 | NPC317572 |
Remote Similarity | 0.6868 | NPC284348 |
Remote Similarity | 0.6839 | NPC164340 |
Remote Similarity | 0.6833 | NPC302159 |
Remote Similarity | 0.6827 | NPC171787 |
Remote Similarity | 0.6822 | NPC315804 |
Remote Similarity | 0.6822 | NPC313804 |
Remote Similarity | 0.6818 | NPC44354 |
Remote Similarity | 0.6804 | NPC317010 |
Remote Similarity | 0.6802 | NPC194040 |
Remote Similarity | 0.6796 | NPC257142 |
Remote Similarity | 0.6784 | NPC144381 |
Remote Similarity | 0.6778 | NPC167400 |
Remote Similarity | 0.6771 | NPC303225 |
Remote Similarity | 0.6771 | NPC139763 |
Remote Similarity | 0.6763 | NPC174421 |
Remote Similarity | 0.6762 | NPC309845 |
Remote Similarity | 0.6761 | NPC114310 |
Remote Similarity | 0.6758 | NPC244536 |
Remote Similarity | 0.6742 | NPC318935 |
Remote Similarity | 0.6742 | NPC477112 |
Remote Similarity | 0.674 | NPC161292 |
Remote Similarity | 0.674 | NPC316224 |
Remote Similarity | 0.6739 | NPC312860 |
Remote Similarity | 0.6737 | NPC319456 |
Remote Similarity | 0.6733 | NPC93390 |
Remote Similarity | 0.6733 | NPC135950 |
Remote Similarity | 0.6723 | NPC471596 |
Remote Similarity | 0.6722 | NPC471598 |
Remote Similarity | 0.6714 | NPC237740 |
Remote Similarity | 0.6699 | NPC193238 |
Remote Similarity | 0.6698 | NPC219087 |
Remote Similarity | 0.6697 | NPC205372 |
Remote Similarity | 0.6685 | NPC280853 |
Remote Similarity | 0.6683 | NPC473821 |
Remote Similarity | 0.6683 | NPC103361 |
Remote Similarity | 0.6667 | NPC470404 |
Remote Similarity | 0.6667 | NPC473057 |
Remote Similarity | 0.6667 | NPC470394 |
Remote Similarity | 0.6667 | NPC470403 |
Remote Similarity | 0.6667 | NPC78767 |
Remote Similarity | 0.6667 | NPC473814 |
Remote Similarity | 0.6649 | NPC107287 |
Remote Similarity | 0.6648 | NPC245657 |
Remote Similarity | 0.6648 | NPC285016 |
Remote Similarity | 0.6632 | NPC471178 |
Remote Similarity | 0.6616 | NPC320394 |
Remote Similarity | 0.661 | NPC29702 |
Remote Similarity | 0.661 | NPC328029 |
Remote Similarity | 0.6609 | NPC315320 |
Remote Similarity | 0.6606 | NPC253314 |
Remote Similarity | 0.6602 | NPC280714 |
Remote Similarity | 0.6602 | NPC123395 |
Remote Similarity | 0.6601 | NPC230403 |
Remote Similarity | 0.6601 | NPC106937 |
Remote Similarity | 0.6597 | NPC108469 |
Remote Similarity | 0.6593 | NPC470395 |
Remote Similarity | 0.6587 | NPC328596 |
Remote Similarity | 0.6587 | NPC328318 |
Remote Similarity | 0.6585 | NPC74153 |
Remote Similarity | 0.6585 | NPC156704 |
Remote Similarity | 0.6573 | NPC294375 |
Remote Similarity | 0.657 | NPC213308 |
Remote Similarity | 0.6564 | NPC194724 |
Remote Similarity | 0.6553 | NPC317672 |
Remote Similarity | 0.6553 | NPC59033 |
Remote Similarity | 0.654 | NPC283117 |
Remote Similarity | 0.6538 | NPC230085 |
Remote Similarity | 0.6538 | NPC159630 |
Remote Similarity | 0.6536 | NPC471594 |
Remote Similarity | 0.6535 | NPC469489 |
Remote Similarity | 0.6534 | NPC322488 |
Remote Similarity | 0.6532 | NPC212125 |
Remote Similarity | 0.6532 | NPC165370 |
Remote Similarity | 0.6528 | NPC477110 |
Remote Similarity | 0.6526 | NPC470020 |
Remote Similarity | 0.6524 | NPC12944 |
Remote Similarity | 0.6524 | NPC25442 |
Remote Similarity | 0.6522 | NPC476167 |
Remote Similarity | 0.6522 | NPC112741 |
Remote Similarity | 0.6514 | NPC74360 |
Remote Similarity | 0.6507 | NPC57398 |
Remote Similarity | 0.6505 | NPC329024 |
Remote Similarity | 0.6504 | NPC182222 |
Remote Similarity | 0.65 | NPC478141 |
Remote Similarity | 0.6498 | NPC472285 |
Remote Similarity | 0.6493 | NPC317373 |
Remote Similarity | 0.649 | NPC79223 |
Remote Similarity | 0.6481 | NPC146976 |
Remote Similarity | 0.6477 | NPC44161 |
Remote Similarity | 0.6476 | NPC200836 |
Remote Similarity | 0.6474 | NPC25899 |
Remote Similarity | 0.6473 | NPC192315 |
Remote Similarity | 0.6468 | NPC118084 |
Remote Similarity | 0.6465 | NPC478032 |
Remote Similarity | 0.6462 | NPC88008 |
Remote Similarity | 0.6462 | NPC53344 |
Remote Similarity | 0.6462 | NPC156044 |
Remote Similarity | 0.6459 | NPC32451 |
Remote Similarity | 0.6457 | NPC186351 |
Remote Similarity | 0.6455 | NPC138018 |
Remote Similarity | 0.6453 | NPC134637 |
Remote Similarity | 0.6445 | NPC327592 |
Remote Similarity | 0.644 | NPC59779 |
Remote Similarity | 0.644 | NPC471177 |
Remote Similarity | 0.644 | NPC124542 |
Remote Similarity | 0.6436 | NPC46580 |
Remote Similarity | 0.6436 | NPC209362 |
Remote Similarity | 0.6435 | NPC250448 |
Remote Similarity | 0.6435 | NPC236668 |
Remote Similarity | 0.6432 | NPC219963 |
Remote Similarity | 0.6429 | NPC211813 |
Remote Similarity | 0.6425 | NPC224928 |
Remote Similarity | 0.6418 | NPC314002 |
Remote Similarity | 0.6411 | NPC45459 |
Remote Similarity | 0.6411 | NPC315491 |
Remote Similarity | 0.6409 | NPC54066 |
Remote Similarity | 0.6406 | NPC97367 |
Remote Similarity | 0.6404 | NPC183805 |
Remote Similarity | 0.6398 | NPC53144 |
Remote Similarity | 0.6396 | NPC94842 |
Remote Similarity | 0.6394 | NPC324245 |
Remote Similarity | 0.6394 | NPC320748 |
Remote Similarity | 0.6393 | NPC131885 |
Remote Similarity | 0.639 | NPC471448 |
Remote Similarity | 0.6388 | NPC172222 |
Remote Similarity | 0.6382 | NPC471997 |
Remote Similarity | 0.6382 | NPC271792 |
Remote Similarity | 0.6381 | NPC328559 |
Remote Similarity | 0.6376 | NPC8022 |
Remote Similarity | 0.6376 | NPC470799 |
Remote Similarity | 0.6373 | NPC154339 |
Remote Similarity | 0.6372 | NPC303951 |
Remote Similarity | 0.6372 | NPC5145 |
Remote Similarity | 0.6368 | NPC204717 |
Remote Similarity | 0.6368 | NPC213914 |
Remote Similarity | 0.6368 | NPC97746 |
Remote Similarity | 0.6364 | NPC474767 |
Remote Similarity | 0.6364 | NPC96890 |
Remote Similarity | 0.6359 | NPC232225 |
Remote Similarity | 0.6359 | NPC317752 |
Remote Similarity | 0.6359 | NPC267343 |
Remote Similarity | 0.6356 | NPC246381 |
Remote Similarity | 0.6355 | NPC278434 |
Remote Similarity | 0.6355 | NPC210828 |
Remote Similarity | 0.6355 | NPC18348 |
Remote Similarity | 0.6355 | NPC477111 |
Remote Similarity | 0.6355 | NPC206186 |
Remote Similarity | 0.6355 | NPC86834 |
Remote Similarity | 0.6354 | NPC48192 |
Remote Similarity | 0.6352 | NPC208522 |
Remote Similarity | 0.6351 | NPC216612 |
Remote Similarity | 0.6351 | NPC470678 |
Remote Similarity | 0.635 | NPC266551 |
Remote Similarity | 0.635 | NPC161887 |
Remote Similarity | 0.6347 | NPC473513 |
Molecular Weight   | 247.02 |
ALogP   | -0.5977 |
MLogP   | 1.46 |
XLogP   | -1.235 |
HDA   | 6 |
HBD   | 3 |
Rotatable Bonds   | 8 |
TPSA   | 126.76 |
RO5 Violation   | 0 |