Drug Information

Drug ID:  NPD5488
Drug Name:  NC-190
Molecular Formula:  C23H22N4O5
Canonical SMILES:  COc1cc2nc3c(nc2cc1C(=O)O)c(C(=NCCN(C)C)O)c(c1c3cccc1)[O-]
Standard InCHI:  InChI=1S/C23H22N4O5/c1-27(2)9-8-24-22(29)18-20-19(12-6-4-5-7-13(12)21(18)28)25-16-11-17(32-3)14(23(30)31)10-15(16)26-20/h4-7,10-11,28H,8-9H2,1-3H3,(H,24,29)(H,30,31)/p-1
Standard InCHIKey:  CWXOTYALTFTBAO-UHFFFAOYSA-M
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD5488

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 0.8026 NPC174760
Intermediate Similarity 0.7932 NPC6786
Intermediate Similarity 0.792 NPC227824
Intermediate Similarity 0.7895 NPC169402
Intermediate Similarity 0.7893 NPC218388
Intermediate Similarity 0.7892 NPC315545
Intermediate Similarity 0.7892 NPC314297
Intermediate Similarity 0.7848 NPC314855
Intermediate Similarity 0.7848 NPC313796
Intermediate Similarity 0.7848 NPC313345
Intermediate Similarity 0.7848 NPC315638
Intermediate Similarity 0.7835 NPC280799
Intermediate Similarity 0.7807 NPC116238
Intermediate Similarity 0.7803 NPC314648
Intermediate Similarity 0.7791 NPC89549
Intermediate Similarity 0.7788 NPC314834
Intermediate Similarity 0.7778 NPC470018
Intermediate Similarity 0.7773 NPC3207
Intermediate Similarity 0.7716 NPC150239
Intermediate Similarity 0.7714 NPC270515
Intermediate Similarity 0.7713 NPC279589
Intermediate Similarity 0.7709 NPC470020
Intermediate Similarity 0.7706 NPC46561
Intermediate Similarity 0.7702 NPC478080
Intermediate Similarity 0.7698 NPC132385
Intermediate Similarity 0.7683 NPC45048
Intermediate Similarity 0.7675 NPC87413
Intermediate Similarity 0.7675 NPC220337
Intermediate Similarity 0.7671 NPC478083
Intermediate Similarity 0.7664 NPC208522
Intermediate Similarity 0.7629 NPC247803
Intermediate Similarity 0.7619 NPC152768
Intermediate Similarity 0.7619 NPC148183
Intermediate Similarity 0.7617 NPC322482
Intermediate Similarity 0.7615 NPC132329
Intermediate Similarity 0.7611 NPC300156
Intermediate Similarity 0.7609 NPC250448
Intermediate Similarity 0.7595 NPC74575
Intermediate Similarity 0.7593 NPC473187
Intermediate Similarity 0.7593 NPC470017
Intermediate Similarity 0.7592 NPC160898
Intermediate Similarity 0.7565 NPC472098
Intermediate Similarity 0.7564 NPC472099
Intermediate Similarity 0.7553 NPC227908
Intermediate Similarity 0.7545 NPC114335
Intermediate Similarity 0.7545 NPC280964
Intermediate Similarity 0.7545 NPC141915
Intermediate Similarity 0.7542 NPC49547
Intermediate Similarity 0.7541 NPC477066
Intermediate Similarity 0.7529 NPC315634
Intermediate Similarity 0.7529 NPC100734
Intermediate Similarity 0.7529 NPC88923
Intermediate Similarity 0.7522 NPC9894
Intermediate Similarity 0.751 NPC72905
Intermediate Similarity 0.751 NPC478081
Intermediate Similarity 0.751 NPC473540
Intermediate Similarity 0.75 NPC193238
Intermediate Similarity 0.75 NPC4687
Intermediate Similarity 0.749 NPC274640
Intermediate Similarity 0.7489 NPC308137
Intermediate Similarity 0.7489 NPC128115
Intermediate Similarity 0.7489 NPC310211
Intermediate Similarity 0.7489 NPC86078
Intermediate Similarity 0.748 NPC291609
Intermediate Similarity 0.747 NPC284685
Intermediate Similarity 0.7467 NPC39679
Intermediate Similarity 0.746 NPC17437
Intermediate Similarity 0.7458 NPC198503
Intermediate Similarity 0.7458 NPC60621
Intermediate Similarity 0.744 NPC137353
Intermediate Similarity 0.7439 NPC478082
Intermediate Similarity 0.7439 NPC124300
Intermediate Similarity 0.7439 NPC477067
Intermediate Similarity 0.7426 NPC210434
Intermediate Similarity 0.7424 NPC193777
Intermediate Similarity 0.7422 NPC280714
Intermediate Similarity 0.7418 NPC470022
Intermediate Similarity 0.7411 NPC474188
Intermediate Similarity 0.7409 NPC142385
Intermediate Similarity 0.7409 NPC15406
Intermediate Similarity 0.7404 NPC96321
Intermediate Similarity 0.7386 NPC24019
Intermediate Similarity 0.738 NPC45190
Intermediate Similarity 0.7373 NPC191489
Intermediate Similarity 0.7371 NPC23294
Intermediate Similarity 0.7366 NPC329631
Intermediate Similarity 0.7364 NPC473449
Intermediate Similarity 0.736 NPC91868
Intermediate Similarity 0.736 NPC63971
Intermediate Similarity 0.7353 NPC144452
Intermediate Similarity 0.735 NPC16066
Intermediate Similarity 0.7349 NPC310618
Intermediate Similarity 0.7342 NPC469439
Intermediate Similarity 0.7339 NPC264176
Intermediate Similarity 0.7336 NPC90875
Intermediate Similarity 0.7331 NPC184408
Intermediate Similarity 0.7328 NPC210296
Intermediate Similarity 0.7328 NPC303951
Intermediate Similarity 0.7328 NPC475844
Intermediate Similarity 0.7325 NPC233334
Intermediate Similarity 0.7325 NPC474192
Intermediate Similarity 0.7325 NPC475720
Intermediate Similarity 0.7322 NPC51388
Intermediate Similarity 0.7317 NPC166722
Intermediate Similarity 0.7316 NPC470931
Intermediate Similarity 0.7312 NPC329982
Intermediate Similarity 0.7302 NPC183537
Intermediate Similarity 0.7295 NPC22481
Intermediate Similarity 0.7292 NPC21638
Intermediate Similarity 0.7292 NPC97746
Intermediate Similarity 0.7287 NPC41501
Intermediate Similarity 0.7284 NPC474688
Intermediate Similarity 0.728 NPC475666
Intermediate Similarity 0.728 NPC469734
Intermediate Similarity 0.7276 NPC472061
Intermediate Similarity 0.7273 NPC249583
Intermediate Similarity 0.7273 NPC252251
Intermediate Similarity 0.7273 NPC53344
Intermediate Similarity 0.7269 NPC188400
Intermediate Similarity 0.7265 NPC39370
Intermediate Similarity 0.7265 NPC48353
Intermediate Similarity 0.7261 NPC137929
Intermediate Similarity 0.7261 NPC164374
Intermediate Similarity 0.7261 NPC200888
Intermediate Similarity 0.726 NPC243058
Intermediate Similarity 0.7257 NPC473041
Intermediate Similarity 0.7254 NPC473186
Intermediate Similarity 0.7251 NPC107836
Intermediate Similarity 0.7246 NPC469928
Intermediate Similarity 0.7243 NPC278525
Intermediate Similarity 0.7241 NPC86834
Intermediate Similarity 0.7241 NPC210828
Intermediate Similarity 0.724 NPC81939
Intermediate Similarity 0.724 NPC90415
Intermediate Similarity 0.7236 NPC108342
Intermediate Similarity 0.7234 NPC478074
Intermediate Similarity 0.7233 NPC67401
Intermediate Similarity 0.7233 NPC77878
Intermediate Similarity 0.7231 NPC478078
Intermediate Similarity 0.7231 NPC157931
Intermediate Similarity 0.7229 NPC304183
Intermediate Similarity 0.7227 NPC203635
Intermediate Similarity 0.7222 NPC208284
Intermediate Similarity 0.722 NPC179287
Intermediate Similarity 0.7218 NPC475816
Intermediate Similarity 0.7217 NPC223427
Intermediate Similarity 0.7216 NPC478045
Intermediate Similarity 0.7213 NPC477531
Intermediate Similarity 0.7213 NPC474701
Intermediate Similarity 0.7211 NPC178858
Intermediate Similarity 0.721 NPC174672
Intermediate Similarity 0.7208 NPC118121
Intermediate Similarity 0.7208 NPC195788
Intermediate Similarity 0.7208 NPC237901
Intermediate Similarity 0.7206 NPC182907
Intermediate Similarity 0.7206 NPC189903
Intermediate Similarity 0.7205 NPC189079
Intermediate Similarity 0.7202 NPC311906
Intermediate Similarity 0.7198 NPC321428
Intermediate Similarity 0.7189 NPC84347
Intermediate Similarity 0.7185 NPC23614
Intermediate Similarity 0.7185 NPC100079
Intermediate Similarity 0.7179 NPC471304
Intermediate Similarity 0.7179 NPC269367
Intermediate Similarity 0.7178 NPC94842
Intermediate Similarity 0.7177 NPC101350
Intermediate Similarity 0.7176 NPC244543
Intermediate Similarity 0.7175 NPC183805
Intermediate Similarity 0.7172 NPC209174
Intermediate Similarity 0.7171 NPC124313
Intermediate Similarity 0.7167 NPC82548
Intermediate Similarity 0.7165 NPC133609
Intermediate Similarity 0.7165 NPC473188
Intermediate Similarity 0.7165 NPC302807
Intermediate Similarity 0.7162 NPC315957
Intermediate Similarity 0.7162 NPC194040
Intermediate Similarity 0.7161 NPC316181
Intermediate Similarity 0.7161 NPC31700
Intermediate Similarity 0.7161 NPC74562
Intermediate Similarity 0.7161 NPC39500
Intermediate Similarity 0.7161 NPC151781
Intermediate Similarity 0.716 NPC84164
Intermediate Similarity 0.716 NPC207283
Intermediate Similarity 0.7155 NPC298436
Intermediate Similarity 0.7155 NPC472111
Intermediate Similarity 0.7148 NPC473639
Intermediate Similarity 0.7143 NPC317572
Intermediate Similarity 0.7143 NPC215837
Intermediate Similarity 0.7143 NPC217176
Intermediate Similarity 0.7137 NPC201697
Intermediate Similarity 0.7137 NPC235685
Intermediate Similarity 0.7131 NPC118228
Intermediate Similarity 0.7131 NPC471762
Intermediate Similarity 0.7131 NPC235076
Intermediate Similarity 0.7131 NPC194740
Intermediate Similarity 0.713 NPC470586
Intermediate Similarity 0.7126 NPC263937
Intermediate Similarity 0.7126 NPC94428
Intermediate Similarity 0.7125 NPC225279
Intermediate Similarity 0.7123 NPC256268

Drug Structure

External Identifiers

TTD   DIB001826
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  433.15
ALogP  -1.1505
MLogP  3
XLogP  3.173
HDA  7
HBD  2
Rotatable Bonds  12
TPSA  131.2
RO5 Violation  0