Drug Information

Drug ID:  NPD3395
Drug Name:  Pioglitazone Hydrochloride
Molecular Formula:  C19H20N2O3S.ClH
Canonical SMILES:  CCc1ccc(nc1)CCOc1ccc(cc1)CC1SC(=O)N=C1O.Cl
Standard InCHI:  InChI=1S/C19H20N2O3S.ClH/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17;/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23);1H
Standard InCHIKey:  GHUUBYQTCDQWRA-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3395

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 0.8142 NPC222592
Intermediate Similarity 0.8142 NPC168486
Intermediate Similarity 0.7978 NPC177404
Intermediate Similarity 0.7742 NPC283152
Intermediate Similarity 0.772 NPC195268
Intermediate Similarity 0.772 NPC133140
Intermediate Similarity 0.7696 NPC74382
Intermediate Similarity 0.7696 NPC206251
Intermediate Similarity 0.768 NPC289786
Intermediate Similarity 0.764 NPC26872
Intermediate Similarity 0.7602 NPC473053
Intermediate Similarity 0.7596 NPC471178
Intermediate Similarity 0.7582 NPC471177
Intermediate Similarity 0.7582 NPC59779
Intermediate Similarity 0.7582 NPC124542
Intermediate Similarity 0.7563 NPC224928
Intermediate Similarity 0.7562 NPC118832
Intermediate Similarity 0.7562 NPC329708
Intermediate Similarity 0.7562 NPC165349
Intermediate Similarity 0.7562 NPC274291
Intermediate Similarity 0.7562 NPC264166
Intermediate Similarity 0.7562 NPC47059
Intermediate Similarity 0.7527 NPC121658
Intermediate Similarity 0.7527 NPC14651
Intermediate Similarity 0.7526 NPC219963
Intermediate Similarity 0.7514 NPC26850
Intermediate Similarity 0.75 NPC307963
Intermediate Similarity 0.7475 NPC285558
Intermediate Similarity 0.7475 NPC267928
Intermediate Similarity 0.7474 NPC224327
Intermediate Similarity 0.7473 NPC476518
Intermediate Similarity 0.7463 NPC290689
Intermediate Similarity 0.745 NPC477019
Intermediate Similarity 0.7435 NPC161887
Intermediate Similarity 0.7435 NPC266551
Intermediate Similarity 0.7424 NPC251090
Intermediate Similarity 0.7415 NPC174758
Intermediate Similarity 0.7413 NPC232727
Intermediate Similarity 0.7407 NPC288943
Intermediate Similarity 0.74 NPC476578
Intermediate Similarity 0.74 NPC4071
Intermediate Similarity 0.74 NPC476582
Intermediate Similarity 0.74 NPC287437
Intermediate Similarity 0.7391 NPC202605
Intermediate Similarity 0.7391 NPC112206
Intermediate Similarity 0.7389 NPC16452
Intermediate Similarity 0.7389 NPC36229
Intermediate Similarity 0.7389 NPC476581
Intermediate Similarity 0.7381 NPC473822
Intermediate Similarity 0.7358 NPC62069
Intermediate Similarity 0.7354 NPC312872
Intermediate Similarity 0.7351 NPC473057
Intermediate Similarity 0.7347 NPC76748
Intermediate Similarity 0.7344 NPC470474
Intermediate Similarity 0.734 NPC475774
Intermediate Similarity 0.731 NPC92111
Intermediate Similarity 0.7302 NPC111624
Intermediate Similarity 0.7296 NPC296527
Intermediate Similarity 0.7282 NPC287208
Intermediate Similarity 0.7277 NPC19872
Intermediate Similarity 0.7277 NPC234197
Intermediate Similarity 0.7273 NPC266931
Intermediate Similarity 0.7268 NPC323345
Intermediate Similarity 0.7268 NPC472111
Intermediate Similarity 0.7268 NPC470164
Intermediate Similarity 0.7264 NPC213530
Intermediate Similarity 0.7264 NPC193267
Intermediate Similarity 0.7247 NPC471323
Intermediate Similarity 0.7246 NPC469589
Intermediate Similarity 0.7246 NPC174672
Intermediate Similarity 0.7245 NPC66083
Intermediate Similarity 0.7241 NPC31930
Intermediate Similarity 0.7236 NPC79293
Intermediate Similarity 0.7236 NPC279401
Intermediate Similarity 0.7233 NPC313189
Intermediate Similarity 0.7233 NPC193238
Intermediate Similarity 0.7225 NPC296482
Intermediate Similarity 0.7225 NPC202768
Intermediate Similarity 0.7225 NPC53069
Intermediate Similarity 0.7222 NPC469390
Intermediate Similarity 0.7212 NPC123976
Intermediate Similarity 0.7212 NPC11464
Intermediate Similarity 0.7212 NPC167860
Intermediate Similarity 0.7204 NPC274982
Intermediate Similarity 0.7204 NPC288349
Intermediate Similarity 0.7198 NPC82548
Intermediate Similarity 0.7198 NPC475910
Intermediate Similarity 0.7196 NPC60621
Intermediate Similarity 0.7194 NPC204385
Intermediate Similarity 0.7192 NPC315957
Intermediate Similarity 0.7192 NPC176538
Intermediate Similarity 0.7183 NPC168209
Intermediate Similarity 0.7182 NPC255800
Intermediate Similarity 0.7182 NPC96584
Intermediate Similarity 0.7177 NPC242923
Intermediate Similarity 0.7172 NPC134079
Intermediate Similarity 0.7169 NPC201508
Intermediate Similarity 0.7164 NPC13880
Intermediate Similarity 0.7151 NPC25899
Intermediate Similarity 0.715 NPC226202
Intermediate Similarity 0.7143 NPC295158
Intermediate Similarity 0.7143 NPC20249
Intermediate Similarity 0.7143 NPC99891
Intermediate Similarity 0.7143 NPC316981
Intermediate Similarity 0.7143 NPC251160
Intermediate Similarity 0.7129 NPC470020
Intermediate Similarity 0.7116 NPC310118
Intermediate Similarity 0.7109 NPC476287
Intermediate Similarity 0.7109 NPC236668
Intermediate Similarity 0.7108 NPC121772
Intermediate Similarity 0.7107 NPC61350
Intermediate Similarity 0.7105 NPC473764
Intermediate Similarity 0.7105 NPC314940
Intermediate Similarity 0.71 NPC280964
Intermediate Similarity 0.71 NPC324149
Intermediate Similarity 0.71 NPC114335
Intermediate Similarity 0.71 NPC141915
Intermediate Similarity 0.71 NPC99666
Intermediate Similarity 0.7094 NPC127085
Intermediate Similarity 0.7092 NPC84478
Intermediate Similarity 0.7092 NPC320394
Intermediate Similarity 0.709 NPC108469
Intermediate Similarity 0.7087 NPC476138
Intermediate Similarity 0.7087 NPC245816
Intermediate Similarity 0.7085 NPC3715
Intermediate Similarity 0.7083 NPC243633
Intermediate Similarity 0.7083 NPC175150
Intermediate Similarity 0.7077 NPC206201
Intermediate Similarity 0.7075 NPC146976
Intermediate Similarity 0.7074 NPC118511
Intermediate Similarity 0.7071 NPC46580
Intermediate Similarity 0.707 NPC174049
Intermediate Similarity 0.7067 NPC135549
Intermediate Similarity 0.7064 NPC153467
Intermediate Similarity 0.7062 NPC26679
Intermediate Similarity 0.7062 NPC96405
Intermediate Similarity 0.7062 NPC264176
Intermediate Similarity 0.7062 NPC171409
Intermediate Similarity 0.7059 NPC18487
Intermediate Similarity 0.7056 NPC173080
Intermediate Similarity 0.7053 NPC470500
Intermediate Similarity 0.7053 NPC210256
Intermediate Similarity 0.7042 NPC170114
Intermediate Similarity 0.7039 NPC295898
Intermediate Similarity 0.7032 NPC110151
Intermediate Similarity 0.7028 NPC471080
Intermediate Similarity 0.7028 NPC469592
Intermediate Similarity 0.7024 NPC329747
Intermediate Similarity 0.7021 NPC48192
Intermediate Similarity 0.7014 NPC208284
Intermediate Similarity 0.7011 NPC256893
Intermediate Similarity 0.701 NPC211997
Intermediate Similarity 0.701 NPC239954
Intermediate Similarity 0.7005 NPC53144
Intermediate Similarity 0.7005 NPC122463
Remote Similarity 0.6995 NPC470549
Remote Similarity 0.6984 NPC97367
Remote Similarity 0.6984 NPC263439
Remote Similarity 0.698 NPC329541
Remote Similarity 0.698 NPC84853
Remote Similarity 0.698 NPC198673
Remote Similarity 0.6978 NPC161292
Remote Similarity 0.697 NPC314002
Remote Similarity 0.697 NPC42591
Remote Similarity 0.6963 NPC8022
Remote Similarity 0.6963 NPC470799
Remote Similarity 0.6961 NPC243834
Remote Similarity 0.6961 NPC70956
Remote Similarity 0.6959 NPC134586
Remote Similarity 0.6959 NPC203754
Remote Similarity 0.6959 NPC150048
Remote Similarity 0.6957 NPC475112
Remote Similarity 0.6957 NPC475085
Remote Similarity 0.6957 NPC291535
Remote Similarity 0.6954 NPC163055
Remote Similarity 0.6952 NPC470931
Remote Similarity 0.6948 NPC162530
Remote Similarity 0.6944 NPC17565
Remote Similarity 0.6938 NPC476106
Remote Similarity 0.6935 NPC171171
Remote Similarity 0.6927 NPC72211
Remote Similarity 0.6927 NPC168911
Remote Similarity 0.6923 NPC223427
Remote Similarity 0.6923 NPC246381
Remote Similarity 0.6923 NPC248454
Remote Similarity 0.6923 NPC96890
Remote Similarity 0.6923 NPC469440
Remote Similarity 0.6919 NPC185782
Remote Similarity 0.6919 NPC204717
Remote Similarity 0.6915 NPC84508
Remote Similarity 0.6912 NPC54066
Remote Similarity 0.6912 NPC128115
Remote Similarity 0.6901 NPC472098
Remote Similarity 0.69 NPC472434
Remote Similarity 0.6898 NPC314270
Remote Similarity 0.6898 NPC204446
Remote Similarity 0.6898 NPC469594
Remote Similarity 0.6895 NPC311276
Remote Similarity 0.6895 NPC122436
Remote Similarity 0.6892 NPC469792

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  356.12
ALogP  0.0394
MLogP  2.89
XLogP  4.313
HDA  4
HBD  1
Rotatable Bonds  9
TPSA  97.08
RO5 Violation  0