Drug ID:   | NPD3598 |
Drug Name:   | Mitiglinide |
Molecular Formula:   | C19H25NO3 |
Canonical SMILES:   | O=C(N1C[C@@H]2[C@H](C1)CCCC2)C[C@@H](C(=O)O)Cc1ccccc1 |
Standard InCHI:   | InChI=1S/C19H25NO3/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,23)/t15-,16+,17-/m0/s1 |
Standard InCHIKey:   | WPGGHFDDFPHPOB-BBWFWOEESA-N |
Max Developmental Stage:   | Phase 3 |
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 |
---|---|---|
Intermediate Similarity | 0.7661 | NPC84281 |
Intermediate Similarity | 0.7661 | NPC291027 |
Intermediate Similarity | 0.7661 | NPC317474 |
Intermediate Similarity | 0.7661 | NPC169485 |
Intermediate Similarity | 0.7661 | NPC213126 |
Intermediate Similarity | 0.7607 | NPC158854 |
Intermediate Similarity | 0.7438 | NPC33742 |
Intermediate Similarity | 0.7368 | NPC49577 |
Intermediate Similarity | 0.7368 | NPC90194 |
Intermediate Similarity | 0.7368 | NPC76785 |
Intermediate Similarity | 0.7368 | NPC118099 |
Intermediate Similarity | 0.7368 | NPC260045 |
Intermediate Similarity | 0.7368 | NPC474811 |
Intermediate Similarity | 0.7368 | NPC151706 |
Intermediate Similarity | 0.7368 | NPC476102 |
Intermediate Similarity | 0.7368 | NPC9687 |
Intermediate Similarity | 0.7368 | NPC79465 |
Intermediate Similarity | 0.7368 | NPC474855 |
Intermediate Similarity | 0.7368 | NPC273907 |
Intermediate Similarity | 0.7368 | NPC475318 |
Intermediate Similarity | 0.7368 | NPC475598 |
Intermediate Similarity | 0.7368 | NPC293377 |
Intermediate Similarity | 0.7368 | NPC474787 |
Intermediate Similarity | 0.7355 | NPC276949 |
Intermediate Similarity | 0.7355 | NPC35850 |
Intermediate Similarity | 0.735 | NPC45033 |
Intermediate Similarity | 0.7345 | NPC322598 |
Intermediate Similarity | 0.7333 | NPC44830 |
Intermediate Similarity | 0.7317 | NPC14672 |
Intermediate Similarity | 0.7317 | NPC285926 |
Intermediate Similarity | 0.7317 | NPC315276 |
Intermediate Similarity | 0.7308 | NPC473322 |
Intermediate Similarity | 0.7258 | NPC470545 |
Intermediate Similarity | 0.7252 | NPC69496 |
Intermediate Similarity | 0.7232 | NPC256452 |
Intermediate Similarity | 0.7226 | NPC161069 |
Intermediate Similarity | 0.7222 | NPC200964 |
Intermediate Similarity | 0.7203 | NPC191215 |
Intermediate Similarity | 0.7203 | NPC274089 |
Intermediate Similarity | 0.72 | NPC470546 |
Intermediate Similarity | 0.7197 | NPC255447 |
Intermediate Similarity | 0.7177 | NPC470544 |
Intermediate Similarity | 0.7174 | NPC471516 |
Intermediate Similarity | 0.7143 | NPC55529 |
Intermediate Similarity | 0.713 | NPC12730 |
Intermediate Similarity | 0.7119 | NPC67043 |
Intermediate Similarity | 0.7119 | NPC473418 |
Intermediate Similarity | 0.7107 | NPC313981 |
Intermediate Similarity | 0.7107 | NPC319579 |
Intermediate Similarity | 0.7105 | NPC10781 |
Intermediate Similarity | 0.7105 | NPC293628 |
Intermediate Similarity | 0.7105 | NPC122493 |
Intermediate Similarity | 0.7105 | NPC324569 |
Intermediate Similarity | 0.7097 | NPC473573 |
Intermediate Similarity | 0.709 | NPC233910 |
Intermediate Similarity | 0.709 | NPC245836 |
Intermediate Similarity | 0.7077 | NPC474847 |
Intermediate Similarity | 0.7069 | NPC225079 |
Intermediate Similarity | 0.7069 | NPC264728 |
Intermediate Similarity | 0.7069 | NPC128248 |
Intermediate Similarity | 0.7069 | NPC133809 |
Intermediate Similarity | 0.7069 | NPC136810 |
Intermediate Similarity | 0.7064 | NPC322387 |
Intermediate Similarity | 0.7054 | NPC6975 |
Intermediate Similarity | 0.7048 | NPC127343 |
Intermediate Similarity | 0.7031 | NPC71684 |
Intermediate Similarity | 0.7029 | NPC269398 |
Intermediate Similarity | 0.7029 | NPC263493 |
Intermediate Similarity | 0.7027 | NPC84288 |
Intermediate Similarity | 0.7027 | NPC274455 |
Intermediate Similarity | 0.7027 | NPC86670 |
Intermediate Similarity | 0.7027 | NPC70940 |
Intermediate Similarity | 0.7023 | NPC65310 |
Intermediate Similarity | 0.7021 | NPC138775 |
Intermediate Similarity | 0.7 | NPC222466 |
Intermediate Similarity | 0.7 | NPC209509 |
Remote Similarity | 0.6992 | NPC200589 |
Remote Similarity | 0.6991 | NPC474974 |
Remote Similarity | 0.697 | NPC152850 |
Remote Similarity | 0.697 | NPC105114 |
Remote Similarity | 0.697 | NPC71933 |
Remote Similarity | 0.697 | NPC239990 |
Remote Similarity | 0.697 | NPC89923 |
Remote Similarity | 0.6963 | NPC313663 |
Remote Similarity | 0.6949 | NPC164859 |
Remote Similarity | 0.6947 | NPC101719 |
Remote Similarity | 0.693 | NPC172925 |
Remote Similarity | 0.6929 | NPC476978 |
Remote Similarity | 0.6923 | NPC175726 |
Remote Similarity | 0.6923 | NPC474082 |
Remote Similarity | 0.6917 | NPC130898 |
Remote Similarity | 0.6917 | NPC111428 |
Remote Similarity | 0.6917 | NPC213969 |
Remote Similarity | 0.6917 | NPC165726 |
Remote Similarity | 0.6917 | NPC474973 |
Remote Similarity | 0.6917 | NPC474804 |
Remote Similarity | 0.6906 | NPC150712 |
Remote Similarity | 0.6899 | NPC202521 |
Remote Similarity | 0.6897 | NPC122590 |
Remote Similarity | 0.6897 | NPC120393 |
Remote Similarity | 0.6894 | NPC136453 |
Remote Similarity | 0.6891 | NPC329282 |
Remote Similarity | 0.6884 | NPC132636 |
Remote Similarity | 0.6879 | NPC5620 |
Remote Similarity | 0.687 | NPC469893 |
Remote Similarity | 0.6855 | NPC474584 |
Remote Similarity | 0.6852 | NPC285773 |
Remote Similarity | 0.6842 | NPC71140 |
Remote Similarity | 0.6833 | NPC476198 |
Remote Similarity | 0.6833 | NPC143516 |
Remote Similarity | 0.6828 | NPC162104 |
Remote Similarity | 0.6822 | NPC478016 |
Remote Similarity | 0.6822 | NPC478014 |
Remote Similarity | 0.6822 | NPC478015 |
Remote Similarity | 0.6822 | NPC476990 |
Remote Similarity | 0.6815 | NPC157311 |
Remote Similarity | 0.6814 | NPC86987 |
Remote Similarity | 0.6812 | NPC471264 |
Remote Similarity | 0.6812 | NPC471265 |
Remote Similarity | 0.681 | NPC226041 |
Remote Similarity | 0.681 | NPC469890 |
Remote Similarity | 0.681 | NPC469891 |
Remote Similarity | 0.681 | NPC469892 |
Remote Similarity | 0.681 | NPC472258 |
Remote Similarity | 0.681 | NPC477767 |
Remote Similarity | 0.6807 | NPC471317 |
Remote Similarity | 0.6806 | NPC2501 |
Remote Similarity | 0.6786 | NPC315051 |
Remote Similarity | 0.6783 | NPC329761 |
Remote Similarity | 0.6783 | NPC225648 |
Remote Similarity | 0.6777 | NPC94751 |
Remote Similarity | 0.6777 | NPC327481 |
Remote Similarity | 0.6777 | NPC244933 |
Remote Similarity | 0.6777 | NPC142326 |
Remote Similarity | 0.6777 | NPC85560 |
Remote Similarity | 0.6774 | NPC329011 |
Remote Similarity | 0.6765 | NPC8761 |
Remote Similarity | 0.6765 | NPC44805 |
Remote Similarity | 0.6763 | NPC178662 |
Remote Similarity | 0.6763 | NPC92784 |
Remote Similarity | 0.6763 | NPC470884 |
Remote Similarity | 0.6763 | NPC98424 |
Remote Similarity | 0.6763 | NPC476133 |
Remote Similarity | 0.6757 | NPC17497 |
Remote Similarity | 0.6757 | NPC305602 |
Remote Similarity | 0.6754 | NPC323164 |
Remote Similarity | 0.675 | NPC19136 |
Remote Similarity | 0.6727 | NPC95965 |
Remote Similarity | 0.6723 | NPC475978 |
Remote Similarity | 0.6723 | NPC474820 |
Remote Similarity | 0.6718 | NPC252878 |
Remote Similarity | 0.6713 | NPC262077 |
Remote Similarity | 0.6696 | NPC329064 |
Remote Similarity | 0.6696 | NPC325441 |
Remote Similarity | 0.6695 | NPC221825 |
Remote Similarity | 0.6694 | NPC167336 |
Remote Similarity | 0.6693 | NPC188010 |
Remote Similarity | 0.6692 | NPC80150 |
Remote Similarity | 0.6691 | NPC130309 |
Remote Similarity | 0.6691 | NPC127741 |
Remote Similarity | 0.6691 | NPC120251 |
Remote Similarity | 0.669 | NPC129666 |
Remote Similarity | 0.669 | NPC52748 |
Remote Similarity | 0.6667 | NPC248283 |
Remote Similarity | 0.6667 | NPC220698 |
Remote Similarity | 0.6667 | NPC46427 |
Remote Similarity | 0.6667 | NPC187725 |
Remote Similarity | 0.6667 | NPC329556 |
Remote Similarity | 0.6667 | NPC141607 |
Remote Similarity | 0.6667 | NPC145113 |
Remote Similarity | 0.6667 | NPC310467 |
Remote Similarity | 0.6643 | NPC316906 |
Remote Similarity | 0.6643 | NPC322878 |
Remote Similarity | 0.6642 | NPC257390 |
Remote Similarity | 0.6642 | NPC246913 |
Remote Similarity | 0.6642 | NPC473962 |
Remote Similarity | 0.6642 | NPC477937 |
Remote Similarity | 0.6641 | NPC239357 |
Remote Similarity | 0.6639 | NPC94487 |
Remote Similarity | 0.6637 | NPC9822 |
Remote Similarity | 0.662 | NPC139326 |
Remote Similarity | 0.662 | NPC57976 |
Remote Similarity | 0.6619 | NPC473360 |
Remote Similarity | 0.6618 | NPC300315 |
Remote Similarity | 0.6617 | NPC285394 |
Remote Similarity | 0.661 | NPC271475 |
Remote Similarity | 0.6596 | NPC239762 |
Remote Similarity | 0.6596 | NPC163392 |
Remote Similarity | 0.6591 | NPC26285 |
Remote Similarity | 0.6589 | NPC169328 |
Remote Similarity | 0.6585 | NPC21929 |
Remote Similarity | 0.6581 | NPC261947 |
Remote Similarity | 0.6579 | NPC258627 |
Remote Similarity | 0.6579 | NPC172128 |
Remote Similarity | 0.6577 | NPC469903 |
Remote Similarity | 0.6571 | NPC109580 |
Remote Similarity | 0.6569 | NPC183722 |
Remote Similarity | 0.6567 | NPC79698 |
Remote Similarity | 0.6567 | NPC47667 |
Remote Similarity | 0.6565 | NPC190663 |
TTD   | DAP000917 |
DrugBank   | DB01252 |
ChEMBL   | CHEMBL471498 |
IUPHAR/BPS   | |
PharmaGKB   | PA164748124 |
KEGG Drug   | D01854 |
PubChem CID   | 121891 |
ChEBI   | 135349 |
CAS Number   | 145375-43-5 |
Molecular Weight   | 315.18 |
ALogP   | -1.3171 |
MLogP   | 3.11 |
XLogP   | 4.889 |
HDA   | 4 |
HBD   | 1 |
Rotatable Bonds   | 7 |
TPSA   | 57.61 |
RO5 Violation   | 0 |