Drug Information

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

  Structural Similarity Between NPASS Natural Products and NPD1343

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
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

Drug Structure

External Identifiers

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

Drug Properties

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