Drug ID:   | NPD1343 |
Drug Name:   | Ibudilast |
Molecular Formula:   | C14H18N2O |
Canonical SMILES:   | CC(C(=O)c1c(nn2c1cccc2)C(C)C)C |
Standard InCHI:   | InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3 |
Standard InCHIKey:   | ZJVFLBOZORBYFE-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | IUPHAR/BPS |
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 | 0.8133 | NPC265100 |
Intermediate Similarity | 0.7989 | NPC191415 |
Intermediate Similarity | 0.7964 | NPC242116 |
Intermediate Similarity | 0.7919 | NPC83774 |
Intermediate Similarity | 0.7866 | NPC470679 |
Intermediate Similarity | 0.7866 | NPC217021 |
Intermediate Similarity | 0.7829 | NPC73994 |
Intermediate Similarity | 0.7829 | NPC61011 |
Intermediate Similarity | 0.7824 | NPC114637 |
Intermediate Similarity | 0.7816 | NPC157583 |
Intermediate Similarity | 0.7758 | NPC70406 |
Intermediate Similarity | 0.7738 | NPC80681 |
Intermediate Similarity | 0.7714 | NPC237188 |
Intermediate Similarity | 0.7714 | NPC284775 |
Intermediate Similarity | 0.7701 | NPC469529 |
Intermediate Similarity | 0.7697 | NPC477003 |
Intermediate Similarity | 0.7697 | NPC46895 |
Intermediate Similarity | 0.7697 | NPC473878 |
Intermediate Similarity | 0.7674 | NPC70949 |
Intermediate Similarity | 0.7673 | NPC65408 |
Intermediate Similarity | 0.7669 | NPC467188 |
Intermediate Similarity | 0.7661 | NPC42372 |
Intermediate Similarity | 0.764 | NPC102755 |
Intermediate Similarity | 0.7605 | NPC251391 |
Intermediate Similarity | 0.76 | NPC293216 |
Intermediate Similarity | 0.759 | NPC313889 |
Intermediate Similarity | 0.7588 | NPC100104 |
Intermediate Similarity | 0.7588 | NPC470680 |
Intermediate Similarity | 0.7529 | NPC474492 |
Intermediate Similarity | 0.7527 | NPC255909 |
Intermediate Similarity | 0.7527 | NPC167710 |
Intermediate Similarity | 0.747 | NPC105811 |
Intermediate Similarity | 0.7459 | NPC326422 |
Intermediate Similarity | 0.7459 | NPC304203 |
Intermediate Similarity | 0.7447 | NPC237414 |
Intermediate Similarity | 0.7446 | NPC476460 |
Intermediate Similarity | 0.7432 | NPC103119 |
Intermediate Similarity | 0.7425 | NPC123906 |
Intermediate Similarity | 0.7403 | NPC467063 |
Intermediate Similarity | 0.7389 | NPC470677 |
Intermediate Similarity | 0.738 | NPC128244 |
Intermediate Similarity | 0.7365 | NPC100726 |
Intermediate Similarity | 0.7354 | NPC81535 |
Intermediate Similarity | 0.7353 | NPC209362 |
Intermediate Similarity | 0.7345 | NPC252572 |
Intermediate Similarity | 0.7337 | NPC472260 |
Intermediate Similarity | 0.7316 | NPC121327 |
Intermediate Similarity | 0.7314 | NPC56233 |
Intermediate Similarity | 0.7312 | NPC216550 |
Intermediate Similarity | 0.7302 | NPC34837 |
Intermediate Similarity | 0.7299 | NPC478184 |
Intermediate Similarity | 0.7299 | NPC478182 |
Intermediate Similarity | 0.7292 | NPC317701 |
Intermediate Similarity | 0.7278 | NPC471589 |
Intermediate Similarity | 0.7273 | NPC265605 |
Intermediate Similarity | 0.7273 | NPC267343 |
Intermediate Similarity | 0.7273 | NPC182570 |
Intermediate Similarity | 0.7273 | NPC48564 |
Intermediate Similarity | 0.7268 | NPC282103 |
Intermediate Similarity | 0.7262 | NPC470111 |
Intermediate Similarity | 0.724 | NPC143977 |
Intermediate Similarity | 0.7228 | NPC118084 |
Intermediate Similarity | 0.7225 | NPC293487 |
Intermediate Similarity | 0.7207 | NPC471579 |
Intermediate Similarity | 0.7204 | NPC154339 |
Intermediate Similarity | 0.7176 | NPC471655 |
Intermediate Similarity | 0.7173 | NPC477004 |
Intermediate Similarity | 0.7167 | NPC151635 |
Intermediate Similarity | 0.7151 | NPC229055 |
Intermediate Similarity | 0.7143 | NPC314372 |
Intermediate Similarity | 0.7143 | NPC214106 |
Intermediate Similarity | 0.7134 | NPC150259 |
Intermediate Similarity | 0.7128 | NPC272458 |
Intermediate Similarity | 0.7126 | NPC190296 |
Intermediate Similarity | 0.712 | NPC110158 |
Intermediate Similarity | 0.712 | NPC474916 |
Intermediate Similarity | 0.7112 | NPC324091 |
Intermediate Similarity | 0.711 | NPC74357 |
Intermediate Similarity | 0.7102 | NPC274981 |
Intermediate Similarity | 0.7102 | NPC271797 |
Intermediate Similarity | 0.7102 | NPC21174 |
Intermediate Similarity | 0.7081 | NPC133003 |
Intermediate Similarity | 0.7077 | NPC88115 |
Intermediate Similarity | 0.7077 | NPC472259 |
Intermediate Similarity | 0.7076 | NPC40070 |
Intermediate Similarity | 0.7074 | NPC138370 |
Intermediate Similarity | 0.707 | NPC46358 |
Intermediate Similarity | 0.7069 | NPC213914 |
Intermediate Similarity | 0.7063 | NPC313823 |
Intermediate Similarity | 0.7062 | NPC328318 |
Intermediate Similarity | 0.7062 | NPC115232 |
Intermediate Similarity | 0.7062 | NPC233380 |
Intermediate Similarity | 0.7062 | NPC328596 |
Intermediate Similarity | 0.7062 | NPC106757 |
Intermediate Similarity | 0.7056 | NPC116555 |
Intermediate Similarity | 0.7049 | NPC477042 |
Intermediate Similarity | 0.7048 | NPC73767 |
Intermediate Similarity | 0.7048 | NPC110126 |
Intermediate Similarity | 0.7045 | NPC478185 |
Intermediate Similarity | 0.7043 | NPC17273 |
Intermediate Similarity | 0.7043 | NPC135601 |
Intermediate Similarity | 0.7043 | NPC141612 |
Intermediate Similarity | 0.7041 | NPC86288 |
Intermediate Similarity | 0.7041 | NPC285731 |
Intermediate Similarity | 0.7039 | NPC91895 |
Intermediate Similarity | 0.7037 | NPC47190 |
Intermediate Similarity | 0.7037 | NPC256893 |
Intermediate Similarity | 0.7035 | NPC470233 |
Intermediate Similarity | 0.703 | NPC314102 |
Intermediate Similarity | 0.703 | NPC105127 |
Intermediate Similarity | 0.703 | NPC84911 |
Intermediate Similarity | 0.703 | NPC251722 |
Intermediate Similarity | 0.7025 | NPC27740 |
Intermediate Similarity | 0.7022 | NPC478183 |
Intermediate Similarity | 0.7022 | NPC41717 |
Intermediate Similarity | 0.7018 | NPC102664 |
Intermediate Similarity | 0.7016 | NPC472116 |
Intermediate Similarity | 0.7006 | NPC469784 |
Intermediate Similarity | 0.7006 | NPC469767 |
Intermediate Similarity | 0.7006 | NPC469779 |
Intermediate Similarity | 0.7006 | NPC469768 |
Intermediate Similarity | 0.7006 | NPC469761 |
Intermediate Similarity | 0.7006 | NPC469783 |
Intermediate Similarity | 0.7006 | NPC469780 |
Intermediate Similarity | 0.7005 | NPC278434 |
Remote Similarity | 0.6995 | NPC248462 |
Remote Similarity | 0.6994 | NPC330326 |
Remote Similarity | 0.6994 | NPC281094 |
Remote Similarity | 0.699 | NPC327592 |
Remote Similarity | 0.6984 | NPC473763 |
Remote Similarity | 0.6984 | NPC117244 |
Remote Similarity | 0.6977 | NPC105818 |
Remote Similarity | 0.6977 | NPC24678 |
Remote Similarity | 0.697 | NPC29886 |
Remote Similarity | 0.697 | NPC96102 |
Remote Similarity | 0.697 | NPC261195 |
Remote Similarity | 0.6964 | NPC469766 |
Remote Similarity | 0.6963 | NPC202812 |
Remote Similarity | 0.6962 | NPC290094 |
Remote Similarity | 0.6959 | NPC179787 |
Remote Similarity | 0.6959 | NPC201380 |
Remote Similarity | 0.6954 | NPC317373 |
Remote Similarity | 0.6944 | NPC32534 |
Remote Similarity | 0.6941 | NPC159856 |
Remote Similarity | 0.694 | NPC14113 |
Remote Similarity | 0.694 | NPC84827 |
Remote Similarity | 0.694 | NPC145885 |
Remote Similarity | 0.6935 | NPC21429 |
Remote Similarity | 0.6928 | NPC472288 |
Remote Similarity | 0.6927 | NPC79356 |
Remote Similarity | 0.6927 | NPC102592 |
Remote Similarity | 0.6919 | NPC321911 |
Remote Similarity | 0.6914 | NPC475090 |
Remote Similarity | 0.6914 | NPC475105 |
Remote Similarity | 0.6914 | NPC329896 |
Remote Similarity | 0.6909 | NPC291517 |
Remote Similarity | 0.6903 | NPC471402 |
Remote Similarity | 0.6903 | NPC297486 |
Remote Similarity | 0.6903 | NPC240136 |
Remote Similarity | 0.6902 | NPC55772 |
Remote Similarity | 0.6902 | NPC12649 |
Remote Similarity | 0.6902 | NPC213468 |
Remote Similarity | 0.6902 | NPC11126 |
Remote Similarity | 0.6901 | NPC63545 |
Remote Similarity | 0.6898 | NPC308931 |
Remote Similarity | 0.6898 | NPC99939 |
Remote Similarity | 0.6897 | NPC469760 |
Remote Similarity | 0.6897 | NPC469765 |
Remote Similarity | 0.6897 | NPC25008 |
Remote Similarity | 0.6897 | NPC138842 |
Remote Similarity | 0.6897 | NPC73952 |
Remote Similarity | 0.6897 | NPC469786 |
Remote Similarity | 0.6897 | NPC200214 |
Remote Similarity | 0.6897 | NPC259644 |
Remote Similarity | 0.6897 | NPC469763 |
Remote Similarity | 0.6894 | NPC471311 |
Remote Similarity | 0.6894 | NPC471313 |
Remote Similarity | 0.6891 | NPC227582 |
Remote Similarity | 0.6891 | NPC106824 |
Remote Similarity | 0.6889 | NPC78020 |
Remote Similarity | 0.6888 | NPC472063 |
Remote Similarity | 0.6888 | NPC472062 |
Remote Similarity | 0.6888 | NPC472069 |
Remote Similarity | 0.6885 | NPC267885 |
Remote Similarity | 0.6884 | NPC266249 |
Remote Similarity | 0.6879 | NPC53947 |
Remote Similarity | 0.6875 | NPC129721 |
Remote Similarity | 0.6875 | NPC157828 |
Remote Similarity | 0.6875 | NPC195239 |
Remote Similarity | 0.6869 | NPC472065 |
Remote Similarity | 0.686 | NPC469811 |
Remote Similarity | 0.686 | NPC471957 |
Remote Similarity | 0.6859 | NPC91958 |
Remote Similarity | 0.6857 | NPC70922 |
Remote Similarity | 0.6857 | NPC212376 |
Remote Similarity | 0.6857 | NPC75540 |
Remote Similarity | 0.6857 | NPC80597 |
Remote Similarity | 0.6857 | NPC211572 |
Remote Similarity | 0.6854 | NPC194881 |
Remote Similarity | 0.6852 | NPC89490 |
TTD   | DCL000838; DNC000164 |
DrugBank   | DB05266 |
ChEMBL   | CHEMBL19449 |
IUPHAR/BPS   | 7399 |
PharmaGKB   | PA165958351 |
KEGG Drug   | |
PubChem CID   | 24795102; 3671 |
ChEBI   | 31684 |
CAS Number   | 50847-11-5 |
Molecular Weight   | 230.14 |
ALogP   | 1.0566 |
MLogP   | 2.67 |
XLogP   | 2.797 |
HDA   | 3 |
HBD   | 0 |
Rotatable Bonds   | 7 |
TPSA   | 34.37 |
RO5 Violation   | 0 |