Drug Information

Drug ID:  NPD9278
Drug Name:  4-aminosalicylate sodium (oral controlled release, ulcerative colitis), AGI Therapeutics
Molecular Formula:  C7H7NO3
Canonical SMILES:  Nc1ccc(c(c1)[O-])C(=O)O
Standard InCHI:  InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)/p-1
Standard InCHIKey:  WUBBRNOQWQTFEX-UHFFFAOYSA-M
Max Developmental Stage:  Suspended
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9278

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
High Similarity 0.9924 NPC301702
High Similarity 0.8768 NPC316574
High Similarity 0.855 NPC150323
High Similarity 0.8511 NPC181526
Intermediate Similarity 0.8027 NPC323798
Intermediate Similarity 0.7868 NPC130931
Intermediate Similarity 0.7852 NPC229353
Intermediate Similarity 0.7842 NPC205946
Intermediate Similarity 0.7786 NPC314278
Intermediate Similarity 0.777 NPC13696
Intermediate Similarity 0.7755 NPC314252
Intermediate Similarity 0.7748 NPC315829
Intermediate Similarity 0.7619 NPC43218
Intermediate Similarity 0.7569 NPC314098
Intermediate Similarity 0.7531 NPC471778
Intermediate Similarity 0.7517 NPC242933
Intermediate Similarity 0.75 NPC100551
Intermediate Similarity 0.7438 NPC199737
Intermediate Similarity 0.7391 NPC204867
Intermediate Similarity 0.7329 NPC475983
Intermediate Similarity 0.7246 NPC160179
Intermediate Similarity 0.7202 NPC9475
Intermediate Similarity 0.7197 NPC256838
Intermediate Similarity 0.7181 NPC253476
Intermediate Similarity 0.7169 NPC474814
Intermediate Similarity 0.7169 NPC112336
Intermediate Similarity 0.7153 NPC226794
Intermediate Similarity 0.7122 NPC222982
Intermediate Similarity 0.7118 NPC298320
Intermediate Similarity 0.7105 NPC319645
Intermediate Similarity 0.7101 NPC211421
Intermediate Similarity 0.7101 NPC223004
Intermediate Similarity 0.7089 NPC241392
Intermediate Similarity 0.7075 NPC122235
Intermediate Similarity 0.7071 NPC128825
Intermediate Similarity 0.7071 NPC312800
Intermediate Similarity 0.7044 NPC264400
Intermediate Similarity 0.7039 NPC159722
Remote Similarity 0.6993 NPC181527
Remote Similarity 0.6972 NPC241089
Remote Similarity 0.6972 NPC94637
Remote Similarity 0.6923 NPC90522
Remote Similarity 0.6923 NPC328459
Remote Similarity 0.6912 NPC303264
Remote Similarity 0.6903 NPC43477
Remote Similarity 0.6901 NPC125252
Remote Similarity 0.6875 NPC233282
Remote Similarity 0.6875 NPC72977
Remote Similarity 0.6875 NPC260837
Remote Similarity 0.6861 NPC224584
Remote Similarity 0.6859 NPC3207
Remote Similarity 0.6839 NPC238108
Remote Similarity 0.6815 NPC38262
Remote Similarity 0.6806 NPC184579
Remote Similarity 0.6806 NPC233165
Remote Similarity 0.6752 NPC472241
Remote Similarity 0.6735 NPC311219
Remote Similarity 0.6731 NPC472243
Remote Similarity 0.6723 NPC150308
Remote Similarity 0.6722 NPC114039
Remote Similarity 0.6722 NPC206109
Remote Similarity 0.6718 NPC174760
Remote Similarity 0.6715 NPC187913
Remote Similarity 0.6715 NPC184658
Remote Similarity 0.6713 NPC281686
Remote Similarity 0.6713 NPC188867
Remote Similarity 0.6713 NPC106551
Remote Similarity 0.6712 NPC178395
Remote Similarity 0.6712 NPC26433
Remote Similarity 0.6712 NPC35856
Remote Similarity 0.6712 NPC222876
Remote Similarity 0.6712 NPC179092
Remote Similarity 0.6712 NPC159760
Remote Similarity 0.6712 NPC301987
Remote Similarity 0.6712 NPC272454
Remote Similarity 0.6712 NPC115188
Remote Similarity 0.6712 NPC292665
Remote Similarity 0.6712 NPC244994
Remote Similarity 0.6703 NPC303214
Remote Similarity 0.6703 NPC232600
Remote Similarity 0.669 NPC276111
Remote Similarity 0.669 NPC118288
Remote Similarity 0.6688 NPC173295
Remote Similarity 0.6687 NPC146370
Remote Similarity 0.6687 NPC259678
Remote Similarity 0.6684 NPC313112
Remote Similarity 0.6684 NPC301292
Remote Similarity 0.6667 NPC307437
Remote Similarity 0.6667 NPC86834
Remote Similarity 0.6667 NPC288759
Remote Similarity 0.6667 NPC144691
Remote Similarity 0.6667 NPC29883
Remote Similarity 0.6667 NPC210828
Remote Similarity 0.6667 NPC198336
Remote Similarity 0.6667 NPC58827
Remote Similarity 0.6667 NPC72473
Remote Similarity 0.6667 NPC469828
Remote Similarity 0.6647 NPC470971
Remote Similarity 0.6644 NPC472244
Remote Similarity 0.6644 NPC470343
Remote Similarity 0.6643 NPC188907
Remote Similarity 0.6643 NPC9336
Remote Similarity 0.6629 NPC98416
Remote Similarity 0.6625 NPC472242
Remote Similarity 0.6622 NPC283514
Remote Similarity 0.6622 NPC244351
Remote Similarity 0.6621 NPC283844
Remote Similarity 0.6603 NPC166667
Remote Similarity 0.66 NPC179468
Remote Similarity 0.66 NPC4164
Remote Similarity 0.6593 NPC70201
Remote Similarity 0.6579 NPC477432
Remote Similarity 0.6575 NPC28510
Remote Similarity 0.6575 NPC239697
Remote Similarity 0.6575 NPC161617
Remote Similarity 0.6575 NPC203628
Remote Similarity 0.6573 NPC163154
Remote Similarity 0.6562 NPC23294
Remote Similarity 0.6561 NPC238412
Remote Similarity 0.6556 NPC95309
Remote Similarity 0.6552 NPC217423
Remote Similarity 0.6552 NPC121259
Remote Similarity 0.6547 NPC141523
Remote Similarity 0.6546 NPC116238
Remote Similarity 0.6533 NPC91475
Remote Similarity 0.6533 NPC6888
Remote Similarity 0.6533 NPC236189
Remote Similarity 0.6533 NPC265910
Remote Similarity 0.6528 NPC161304
Remote Similarity 0.6528 NPC240163
Remote Similarity 0.6519 NPC474059
Remote Similarity 0.6513 NPC71525
Remote Similarity 0.651 NPC303951
Remote Similarity 0.6503 NPC98543
Remote Similarity 0.6496 NPC13426
Remote Similarity 0.6496 NPC311660
Remote Similarity 0.6492 NPC39679
Remote Similarity 0.649 NPC322433
Remote Similarity 0.649 NPC240744
Remote Similarity 0.649 NPC167055
Remote Similarity 0.6486 NPC297186
Remote Similarity 0.6486 NPC165197
Remote Similarity 0.6483 NPC108288
Remote Similarity 0.648 NPC169402
Remote Similarity 0.648 NPC132751
Remote Similarity 0.6477 NPC474815
Remote Similarity 0.6471 NPC95537
Remote Similarity 0.6467 NPC477153
Remote Similarity 0.6463 NPC188814
Remote Similarity 0.6463 NPC195262
Remote Similarity 0.6447 NPC321561
Remote Similarity 0.6443 NPC267552
Remote Similarity 0.6443 NPC156139
Remote Similarity 0.6443 NPC73532
Remote Similarity 0.6443 NPC224273
Remote Similarity 0.6443 NPC115159
Remote Similarity 0.6443 NPC19174
Remote Similarity 0.6443 NPC45438
Remote Similarity 0.6443 NPC143427
Remote Similarity 0.6443 NPC25168
Remote Similarity 0.6438 NPC269414
Remote Similarity 0.6438 NPC230349
Remote Similarity 0.6438 NPC160199
Remote Similarity 0.6438 NPC28169
Remote Similarity 0.6437 NPC73280
Remote Similarity 0.6432 NPC170333
Remote Similarity 0.6429 NPC37584
Remote Similarity 0.6421 NPC133156
Remote Similarity 0.642 NPC127082
Remote Similarity 0.6419 NPC230951
Remote Similarity 0.6418 NPC246679
Remote Similarity 0.6417 NPC241263
Remote Similarity 0.6412 NPC62765
Remote Similarity 0.6408 NPC226914
Remote Similarity 0.6405 NPC214620
Remote Similarity 0.6405 NPC145888
Remote Similarity 0.6405 NPC181715
Remote Similarity 0.6405 NPC16031
Remote Similarity 0.6405 NPC161593
Remote Similarity 0.6402 NPC15987
Remote Similarity 0.64 NPC32032
Remote Similarity 0.64 NPC297193
Remote Similarity 0.64 NPC133909
Remote Similarity 0.64 NPC309765
Remote Similarity 0.6395 NPC161943
Remote Similarity 0.6395 NPC317784
Remote Similarity 0.6395 NPC40649
Remote Similarity 0.6395 NPC41567
Remote Similarity 0.6395 NPC142638
Remote Similarity 0.6395 NPC209486
Remote Similarity 0.6395 NPC273282
Remote Similarity 0.6395 NPC474890
Remote Similarity 0.6395 NPC184527
Remote Similarity 0.6393 NPC1820
Remote Similarity 0.6392 NPC87413
Remote Similarity 0.6387 NPC31539
Remote Similarity 0.6387 NPC42292
Remote Similarity 0.6387 NPC307732
Remote Similarity 0.6384 NPC126515
Remote Similarity 0.6384 NPC274002

Drug Structure

External Identifiers

TTD   DIB013800
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  152.03
ALogP  -1.7838
MLogP  1.79
XLogP  1.023
HDA  3
HBD  2
Rotatable Bonds  4
TPSA  86.38
RO5 Violation  0