Drug Information

Drug ID:  NPD5403
Drug Name:  Cromoglicic Acid
Molecular Formula:  C23H16O11
Canonical SMILES:  OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O
Standard InCHI:  InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)
Standard InCHIKey:  IMZMKUWMOSJXDT-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD5403

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 0.9007 NPC473241
High Similarity 0.8961 NPC159579
High Similarity 0.8961 NPC259957
High Similarity 0.8961 NPC282169
High Similarity 0.8961 NPC129217
High Similarity 0.8961 NPC85707
High Similarity 0.8961 NPC224530
High Similarity 0.8961 NPC48093
High Similarity 0.8961 NPC216496
High Similarity 0.891 NPC85751
High Similarity 0.891 NPC205824
High Similarity 0.891 NPC129264
High Similarity 0.891 NPC19240
High Similarity 0.8903 NPC27942
High Similarity 0.8889 NPC135391
High Similarity 0.8889 NPC133671
High Similarity 0.8889 NPC54802
High Similarity 0.8889 NPC77672
High Similarity 0.8889 NPC197304
High Similarity 0.8889 NPC78263
High Similarity 0.8846 NPC121703
High Similarity 0.8846 NPC80068
High Similarity 0.8831 NPC472459
High Similarity 0.8831 NPC111929
High Similarity 0.8831 NPC41121
High Similarity 0.8831 NPC104677
High Similarity 0.8831 NPC320283
High Similarity 0.8824 NPC307938
High Similarity 0.8824 NPC323593
High Similarity 0.8824 NPC203500
High Similarity 0.8816 NPC268193
High Similarity 0.8808 NPC295650
High Similarity 0.88 NPC477941
High Similarity 0.8792 NPC302989
High Similarity 0.8792 NPC129650
High Similarity 0.879 NPC139060
High Similarity 0.879 NPC72016
High Similarity 0.8774 NPC470405
High Similarity 0.8774 NPC304741
High Similarity 0.8774 NPC471079
High Similarity 0.8766 NPC108831
High Similarity 0.8766 NPC182634
High Similarity 0.8766 NPC288084
High Similarity 0.8758 NPC111341
High Similarity 0.8758 NPC470681
High Similarity 0.8758 NPC304745
High Similarity 0.8742 NPC131874
High Similarity 0.8734 NPC64425
High Similarity 0.8733 NPC22137
High Similarity 0.8725 NPC153758
High Similarity 0.8725 NPC1940
High Similarity 0.8725 NPC148011
High Similarity 0.8718 NPC181465
High Similarity 0.8718 NPC139320
High Similarity 0.8718 NPC472994
High Similarity 0.8718 NPC470125
High Similarity 0.8718 NPC215710
High Similarity 0.8718 NPC163242
High Similarity 0.8718 NPC64305
High Similarity 0.8718 NPC477628
High Similarity 0.8718 NPC116458
High Similarity 0.8718 NPC195685
High Similarity 0.8718 NPC265885
High Similarity 0.8718 NPC276377
High Similarity 0.8718 NPC210961
High Similarity 0.8718 NPC473438
High Similarity 0.8718 NPC297987
High Similarity 0.8718 NPC270675
High Similarity 0.8718 NPC253788
High Similarity 0.8718 NPC249281
High Similarity 0.8718 NPC477629
High Similarity 0.8718 NPC135846
High Similarity 0.8718 NPC246943
High Similarity 0.8718 NPC173582
High Similarity 0.8718 NPC476215
High Similarity 0.8718 NPC170052
High Similarity 0.8716 NPC470216
High Similarity 0.871 NPC43761
High Similarity 0.8693 NPC29763
High Similarity 0.8693 NPC39360
High Similarity 0.8693 NPC143851
High Similarity 0.8693 NPC210003
High Similarity 0.8693 NPC83283
High Similarity 0.869 NPC287068
High Similarity 0.8688 NPC96605
High Similarity 0.8688 NPC280642
High Similarity 0.8688 NPC218161
High Similarity 0.8688 NPC470712
High Similarity 0.8688 NPC164704
High Similarity 0.8684 NPC328740
High Similarity 0.8684 NPC477897
High Similarity 0.8684 NPC289774
High Similarity 0.8684 NPC209846
High Similarity 0.8667 NPC44721
High Similarity 0.8667 NPC176869
High Similarity 0.8667 NPC476182
High Similarity 0.8667 NPC122828
High Similarity 0.8667 NPC211466
High Similarity 0.8667 NPC40086
High Similarity 0.8667 NPC3779
High Similarity 0.8662 NPC150164
High Similarity 0.8662 NPC240306
High Similarity 0.8658 NPC279417
High Similarity 0.8658 NPC142731
High Similarity 0.8658 NPC62290
High Similarity 0.8658 NPC49130
High Similarity 0.8658 NPC208176
High Similarity 0.8658 NPC306607
High Similarity 0.8658 NPC326506
High Similarity 0.8658 NPC4152
High Similarity 0.8654 NPC153342
High Similarity 0.8654 NPC187379
High Similarity 0.8654 NPC306978
High Similarity 0.8654 NPC136761
High Similarity 0.8645 NPC156457
High Similarity 0.8645 NPC43638
High Similarity 0.8645 NPC313163
High Similarity 0.8645 NPC161749
High Similarity 0.8645 NPC197896
High Similarity 0.8645 NPC258035
High Similarity 0.8639 NPC474037
High Similarity 0.8636 NPC48579
High Similarity 0.8636 NPC95090
High Similarity 0.8636 NPC207809
High Similarity 0.8636 NPC304207
High Similarity 0.8636 NPC217706
High Similarity 0.8636 NPC237560
High Similarity 0.8636 NPC259710
High Similarity 0.8636 NPC27408
High Similarity 0.8634 NPC470716
High Similarity 0.8634 NPC11847
High Similarity 0.8634 NPC470714
High Similarity 0.8634 NPC101399
High Similarity 0.8634 NPC474522
High Similarity 0.8634 NPC470715
High Similarity 0.8634 NPC217822
High Similarity 0.8634 NPC221288
High Similarity 0.8627 NPC56232
High Similarity 0.8627 NPC244583
High Similarity 0.8627 NPC88484
High Similarity 0.8627 NPC171651
High Similarity 0.8627 NPC35567
High Similarity 0.8627 NPC161881
High Similarity 0.8627 NPC150123
High Similarity 0.8627 NPC259767
High Similarity 0.8627 NPC10807
High Similarity 0.8627 NPC243171
High Similarity 0.8618 NPC177308
High Similarity 0.8618 NPC124478
High Similarity 0.8609 NPC211811
High Similarity 0.8608 NPC179198
High Similarity 0.8608 NPC278419
High Similarity 0.8608 NPC66087
High Similarity 0.8601 NPC128216
High Similarity 0.86 NPC229190
High Similarity 0.8599 NPC101636
High Similarity 0.8599 NPC112418
High Similarity 0.8599 NPC97812
High Similarity 0.8592 NPC137264
High Similarity 0.8591 NPC10302
High Similarity 0.8591 NPC105381
High Similarity 0.859 NPC73511
High Similarity 0.8581 NPC471787
High Similarity 0.8581 NPC90582
High Similarity 0.8581 NPC170475
High Similarity 0.8581 NPC150023
High Similarity 0.8581 NPC45165
High Similarity 0.8581 NPC127406
High Similarity 0.8581 NPC136840
High Similarity 0.8581 NPC262094
High Similarity 0.8571 NPC472583
High Similarity 0.8571 NPC223701
High Similarity 0.8571 NPC248793
High Similarity 0.8571 NPC209550
High Similarity 0.8571 NPC20505
High Similarity 0.8571 NPC109594
High Similarity 0.8571 NPC326592
High Similarity 0.8571 NPC235260
High Similarity 0.8571 NPC112701
High Similarity 0.8571 NPC180301
High Similarity 0.8571 NPC155763
High Similarity 0.8571 NPC116864
High Similarity 0.8571 NPC7989
High Similarity 0.8571 NPC293286
High Similarity 0.8571 NPC244776
High Similarity 0.8571 NPC188815
High Similarity 0.8571 NPC20907
High Similarity 0.8571 NPC138990
High Similarity 0.8571 NPC469344
High Similarity 0.8571 NPC277532
High Similarity 0.8571 NPC88983
High Similarity 0.8571 NPC175429
High Similarity 0.8571 NPC236756
High Similarity 0.8571 NPC244250
High Similarity 0.8571 NPC311579
High Similarity 0.8562 NPC254412
High Similarity 0.8562 NPC470771
High Similarity 0.8562 NPC471289
High Similarity 0.8562 NPC262039
High Similarity 0.8562 NPC278476

Drug Structure

External Identifiers

TTD   DIB008827; DAP000819; DIB012822
DrugBank   DB01003
ChEMBL   CHEMBL428880
IUPHAR/BPS   7608
PharmaGKB   PA449138
KEGG Drug   D07753
PubChem CID   2882
ChEBI   59773
CAS Number  16110-51-3

Drug Properties

Molecular Weight  468.07
ALogP  -2.2825
MLogP  2.78
XLogP  1.7
HDA  7
HBD  3
Rotatable Bonds  11
TPSA  165.89
RO5 Violation  0