Drug Information

Drug ID:  NPD7254
Drug Name:  AZD-2327
Molecular Formula:  C29H35FN4O
Canonical SMILES:  CCN(C(=O)c1ccc(cc1)[C@H](c1cccc(c1)N)N1CCN(CC1)Cc1ccc(cc1)F)CC
Standard InCHI:  InChI=1S/C29H35FN4O/c1-3-33(4-2)29(35)24-12-10-23(11-13-24)28(25-6-5-7-27(31)20-25)34-18-16-32(17-19-34)21-22-8-14-26(30)15-9-22/h5-15,20,28H,3-4,16-19,21,31H2,1-2H3/t28-/m1/s1
Standard InCHIKey:  XGFLMBBZEPJGHY-MUUNZHRXSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7254

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 0.7552 NPC126458
Intermediate Similarity 0.7447 NPC79698
Intermediate Similarity 0.7397 NPC316104
Intermediate Similarity 0.7397 NPC162417
Intermediate Similarity 0.7391 NPC226143
Intermediate Similarity 0.7234 NPC268534
Intermediate Similarity 0.7163 NPC257490
Intermediate Similarity 0.7143 NPC473962
Intermediate Similarity 0.7121 NPC473418
Intermediate Similarity 0.7105 NPC471164
Intermediate Similarity 0.7092 NPC161956
Intermediate Similarity 0.7092 NPC258531
Intermediate Similarity 0.7092 NPC112373
Intermediate Similarity 0.7089 NPC117032
Intermediate Similarity 0.7042 NPC103292
Intermediate Similarity 0.7034 NPC322433
Intermediate Similarity 0.7024 NPC471743
Intermediate Similarity 0.7021 NPC291962
Intermediate Similarity 0.7021 NPC177684
Intermediate Similarity 0.7019 NPC222029
Remote Similarity 0.6992 NPC167336
Remote Similarity 0.6975 NPC276085
Remote Similarity 0.6972 NPC179605
Remote Similarity 0.6972 NPC279385
Remote Similarity 0.6951 NPC189116
Remote Similarity 0.6928 NPC63047
Remote Similarity 0.6928 NPC475248
Remote Similarity 0.6923 NPC313850
Remote Similarity 0.6918 NPC66936
Remote Similarity 0.6905 NPC242269
Remote Similarity 0.6899 NPC109787
Remote Similarity 0.6897 NPC192533
Remote Similarity 0.6887 NPC300299
Remote Similarity 0.6863 NPC469560
Remote Similarity 0.6852 NPC84317
Remote Similarity 0.6818 NPC130251
Remote Similarity 0.6788 NPC469741
Remote Similarity 0.6779 NPC472245
Remote Similarity 0.6768 NPC154478
Remote Similarity 0.6767 NPC291610
Remote Similarity 0.6765 NPC172170
Remote Similarity 0.6753 NPC83214
Remote Similarity 0.6724 NPC470205
Remote Similarity 0.6724 NPC470317
Remote Similarity 0.6714 NPC57051
Remote Similarity 0.6711 NPC209389
Remote Similarity 0.6705 NPC141612
Remote Similarity 0.6705 NPC135601
Remote Similarity 0.6705 NPC17273
Remote Similarity 0.669 NPC475915
Remote Similarity 0.6689 NPC207428
Remote Similarity 0.6667 NPC2823
Remote Similarity 0.6648 NPC133003
Remote Similarity 0.6647 NPC113056
Remote Similarity 0.6647 NPC138293
Remote Similarity 0.6646 NPC473329
Remote Similarity 0.6644 NPC39818
Remote Similarity 0.6626 NPC295021
Remote Similarity 0.6625 NPC254798
Remote Similarity 0.6623 NPC471123
Remote Similarity 0.6622 NPC472244
Remote Similarity 0.6622 NPC470343
Remote Similarity 0.6621 NPC27833
Remote Similarity 0.662 NPC473573
Remote Similarity 0.6609 NPC286994
Remote Similarity 0.6606 NPC104345
Remote Similarity 0.66 NPC150863
Remote Similarity 0.6599 NPC254698
Remote Similarity 0.6597 NPC220698
Remote Similarity 0.6592 NPC313293
Remote Similarity 0.6591 NPC21429
Remote Similarity 0.6579 NPC53044
Remote Similarity 0.6561 NPC186284
Remote Similarity 0.6561 NPC301760
Remote Similarity 0.6561 NPC22082
Remote Similarity 0.6556 NPC314431
Remote Similarity 0.6556 NPC280807
Remote Similarity 0.655 NPC318183
Remote Similarity 0.6549 NPC246904
Remote Similarity 0.6541 NPC136002
Remote Similarity 0.6491 NPC472118
Remote Similarity 0.649 NPC111428
Remote Similarity 0.6478 NPC469537
Remote Similarity 0.6474 NPC122553
Remote Similarity 0.6471 NPC279527
Remote Similarity 0.6471 NPC214960
Remote Similarity 0.6456 NPC471574
Remote Similarity 0.6449 NPC473498
Remote Similarity 0.6423 NPC38262
Remote Similarity 0.6414 NPC313449
Remote Similarity 0.6409 NPC324091
Remote Similarity 0.6403 NPC55529
Remote Similarity 0.64 NPC14849
Remote Similarity 0.6392 NPC315051
Remote Similarity 0.6392 NPC207554
Remote Similarity 0.6392 NPC472243
Remote Similarity 0.6391 NPC282339
Remote Similarity 0.6391 NPC99632
Remote Similarity 0.6387 NPC474473
Remote Similarity 0.6374 NPC182131
Remote Similarity 0.6364 NPC40364
Remote Similarity 0.6358 NPC292265
Remote Similarity 0.6358 NPC252794
Remote Similarity 0.6352 NPC470301
Remote Similarity 0.6352 NPC316202
Remote Similarity 0.6347 NPC63370
Remote Similarity 0.6347 NPC36836
Remote Similarity 0.6339 NPC272458
Remote Similarity 0.6331 NPC225319
Remote Similarity 0.6331 NPC309531
Remote Similarity 0.6331 NPC472102
Remote Similarity 0.6322 NPC161861
Remote Similarity 0.6316 NPC256452
Remote Similarity 0.6312 NPC472241
Remote Similarity 0.6294 NPC194881
Remote Similarity 0.6286 NPC79618
Remote Similarity 0.6286 NPC434
Remote Similarity 0.6286 NPC328611
Remote Similarity 0.6279 NPC305602
Remote Similarity 0.6279 NPC17497
Remote Similarity 0.6277 NPC239854
Remote Similarity 0.6275 NPC473322
Remote Similarity 0.6271 NPC182057
Remote Similarity 0.6271 NPC131450
Remote Similarity 0.6271 NPC475094
Remote Similarity 0.6271 NPC147298
Remote Similarity 0.6264 NPC355
Remote Similarity 0.6259 NPC264580
Remote Similarity 0.625 NPC119326
Remote Similarity 0.6242 NPC71684
Remote Similarity 0.6241 NPC291070
Remote Similarity 0.6241 NPC246757
Remote Similarity 0.6237 NPC472540
Remote Similarity 0.6237 NPC470787
Remote Similarity 0.6237 NPC472539
Remote Similarity 0.6234 NPC473417
Remote Similarity 0.6234 NPC187231
Remote Similarity 0.623 NPC471196
Remote Similarity 0.623 NPC471195
Remote Similarity 0.6226 NPC319645
Remote Similarity 0.6221 NPC471130
Remote Similarity 0.6213 NPC61013
Remote Similarity 0.6213 NPC113946
Remote Similarity 0.6212 NPC470926
Remote Similarity 0.6209 NPC72473
Remote Similarity 0.6209 NPC478079
Remote Similarity 0.6209 NPC307437
Remote Similarity 0.6209 NPC58827
Remote Similarity 0.6205 NPC154602
Remote Similarity 0.6205 NPC243756
Remote Similarity 0.6203 NPC472542
Remote Similarity 0.6203 NPC472541
Remote Similarity 0.6203 NPC325599
Remote Similarity 0.6199 NPC133470
Remote Similarity 0.6199 NPC176983
Remote Similarity 0.6199 NPC289776
Remote Similarity 0.6199 NPC191863
Remote Similarity 0.6196 NPC472242
Remote Similarity 0.6194 NPC157311
Remote Similarity 0.6194 NPC329430
Remote Similarity 0.6194 NPC255447
Remote Similarity 0.6193 NPC470548
Remote Similarity 0.619 NPC470545
Remote Similarity 0.6184 NPC474926
Remote Similarity 0.6176 NPC193410
Remote Similarity 0.6176 NPC36495
Remote Similarity 0.6176 NPC473003
Remote Similarity 0.6173 NPC314287
Remote Similarity 0.6173 NPC478040
Remote Similarity 0.6173 NPC308197
Remote Similarity 0.6163 NPC21174
Remote Similarity 0.6163 NPC271797
Remote Similarity 0.6159 NPC470440
Remote Similarity 0.6159 NPC478039
Remote Similarity 0.6159 NPC324445
Remote Similarity 0.6154 NPC8761
Remote Similarity 0.6154 NPC29285
Remote Similarity 0.6154 NPC473615
Remote Similarity 0.6154 NPC44805
Remote Similarity 0.6149 NPC470546
Remote Similarity 0.6149 NPC473484
Remote Similarity 0.614 NPC248117
Remote Similarity 0.614 NPC73644
Remote Similarity 0.6138 NPC106118
Remote Similarity 0.6136 NPC96901
Remote Similarity 0.6136 NPC177261
Remote Similarity 0.6133 NPC471742
Remote Similarity 0.6131 NPC478076
Remote Similarity 0.6131 NPC75496
Remote Similarity 0.6129 NPC179224
Remote Similarity 0.6129 NPC194562
Remote Similarity 0.6127 NPC302790
Remote Similarity 0.6127 NPC472106
Remote Similarity 0.6122 NPC470544
Remote Similarity 0.6122 NPC239357
Remote Similarity 0.612 NPC229484
Remote Similarity 0.6118 NPC285394
Remote Similarity 0.6118 NPC477887
Remote Similarity 0.6118 NPC22746
Remote Similarity 0.6118 NPC222466

Drug Structure

External Identifiers

TTD   DIB010761
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  474.28
ALogP  -0.1656
MLogP  3.99
XLogP  5.512
HDA  5
HBD  1
Rotatable Bonds  13
TPSA  52.81
RO5 Violation  1