Drug Information

Drug ID:  NPD5923
Drug Name:  Azd-6703
Molecular Formula:  C24H27N5O2
Canonical SMILES:  CN1CCN(CC1)c1ccc2c(c1)c(=O)n(cn2)c1cc(ccc1C)C(=NC1CC1)O
Standard InCHI:  InChI=1S/C24H27N5O2/c1-16-3-4-17(23(30)26-18-5-6-18)13-22(16)29-15-25-21-8-7-19(14-20(21)24(29)31)28-11-9-27(2)10-12-28/h3-4,7-8,13-15,18H,5-6,9-12H2,1-2H3,(H,26,30)
Standard InCHIKey:  ZMAZXHICVRYLQN-UHFFFAOYSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5923

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 0.8521 NPC471130
Intermediate Similarity 0.8402 NPC88970
Intermediate Similarity 0.8079 NPC471743
Intermediate Similarity 0.7968 NPC470787
Intermediate Similarity 0.7968 NPC472539
Intermediate Similarity 0.7968 NPC472540
Intermediate Similarity 0.7926 NPC472542
Intermediate Similarity 0.7926 NPC472541
Intermediate Similarity 0.7892 NPC471196
Intermediate Similarity 0.7892 NPC471195
Intermediate Similarity 0.7849 NPC92803
Intermediate Similarity 0.7816 NPC27904
Intermediate Similarity 0.7746 NPC84317
Intermediate Similarity 0.7742 NPC18890
Intermediate Similarity 0.768 NPC475607
Intermediate Similarity 0.7637 NPC474081
Intermediate Similarity 0.7624 NPC475594
Intermediate Similarity 0.7596 NPC474041
Intermediate Similarity 0.759 NPC295548
Intermediate Similarity 0.7563 NPC471155
Intermediate Similarity 0.7557 NPC154478
Intermediate Similarity 0.7525 NPC270241
Intermediate Similarity 0.7513 NPC225400
Intermediate Similarity 0.75 NPC475761
Intermediate Similarity 0.7475 NPC472538
Intermediate Similarity 0.7475 NPC470786
Intermediate Similarity 0.743 NPC189116
Intermediate Similarity 0.741 NPC300299
Intermediate Similarity 0.7358 NPC198401
Intermediate Similarity 0.733 NPC471132
Intermediate Similarity 0.7316 NPC473815
Intermediate Similarity 0.7273 NPC475685
Intermediate Similarity 0.7273 NPC117032
Intermediate Similarity 0.7249 NPC471742
Intermediate Similarity 0.7196 NPC243058
Intermediate Similarity 0.7193 NPC2823
Intermediate Similarity 0.7176 NPC83214
Intermediate Similarity 0.7158 NPC182131
Intermediate Similarity 0.7158 NPC203635
Intermediate Similarity 0.7151 NPC470548
Intermediate Similarity 0.7143 NPC138293
Intermediate Similarity 0.7143 NPC254798
Intermediate Similarity 0.7143 NPC113056
Intermediate Similarity 0.7121 NPC106118
Intermediate Similarity 0.7107 NPC471199
Intermediate Similarity 0.7105 NPC470317
Intermediate Similarity 0.7083 NPC90415
Intermediate Similarity 0.7083 NPC150308
Intermediate Similarity 0.7074 NPC219848
Intermediate Similarity 0.7037 NPC256268
Intermediate Similarity 0.7035 NPC207554
Intermediate Similarity 0.7033 NPC248601
Intermediate Similarity 0.7024 NPC207428
Remote Similarity 0.6984 NPC14849
Remote Similarity 0.6966 NPC144691
Remote Similarity 0.6957 NPC6865
Remote Similarity 0.6957 NPC153980
Remote Similarity 0.6952 NPC355
Remote Similarity 0.6927 NPC285192
Remote Similarity 0.6912 NPC471191
Remote Similarity 0.691 NPC300596
Remote Similarity 0.691 NPC237649
Remote Similarity 0.6908 NPC72956
Remote Similarity 0.6893 NPC324445
Remote Similarity 0.6888 NPC313293
Remote Similarity 0.6878 NPC328611
Remote Similarity 0.6862 NPC318183
Remote Similarity 0.6859 NPC147298
Remote Similarity 0.6859 NPC182057
Remote Similarity 0.6859 NPC131450
Remote Similarity 0.6851 NPC295021
Remote Similarity 0.685 NPC316282
Remote Similarity 0.6842 NPC184437
Remote Similarity 0.6825 NPC244425
Remote Similarity 0.6825 NPC15384
Remote Similarity 0.6822 NPC220851
Remote Similarity 0.6811 NPC476231
Remote Similarity 0.6804 NPC21429
Remote Similarity 0.6798 NPC471944
Remote Similarity 0.6796 NPC16249
Remote Similarity 0.6794 NPC471193
Remote Similarity 0.6794 NPC471194
Remote Similarity 0.6777 NPC471192
Remote Similarity 0.6745 NPC471197
Remote Similarity 0.6744 NPC253476
Remote Similarity 0.6724 NPC122553
Remote Similarity 0.672 NPC133470
Remote Similarity 0.672 NPC191863
Remote Similarity 0.672 NPC289776
Remote Similarity 0.6714 NPC471198
Remote Similarity 0.6702 NPC248862
Remote Similarity 0.6697 NPC157931
Remote Similarity 0.6686 NPC315224
Remote Similarity 0.665 NPC474916
Remote Similarity 0.6636 NPC116622
Remote Similarity 0.6631 NPC472117
Remote Similarity 0.6627 NPC257490
Remote Similarity 0.6621 NPC257851
Remote Similarity 0.6618 NPC314648
Remote Similarity 0.661 NPC471574
Remote Similarity 0.661 NPC43477
Remote Similarity 0.6604 NPC471741
Remote Similarity 0.6597 NPC292265
Remote Similarity 0.6596 NPC204867
Remote Similarity 0.6591 NPC471762
Remote Similarity 0.6578 NPC93653
Remote Similarity 0.6555 NPC243850
Remote Similarity 0.6554 NPC472243
Remote Similarity 0.6552 NPC162417
Remote Similarity 0.6552 NPC316104
Remote Similarity 0.6545 NPC472118
Remote Similarity 0.6543 NPC199737
Remote Similarity 0.6536 NPC308197
Remote Similarity 0.6532 NPC476687
Remote Similarity 0.6532 NPC476689
Remote Similarity 0.6532 NPC476685
Remote Similarity 0.6512 NPC226662
Remote Similarity 0.6506 NPC177684
Remote Similarity 0.6506 NPC291962
Remote Similarity 0.65 NPC136002
Remote Similarity 0.6476 NPC314297
Remote Similarity 0.6476 NPC315545
Remote Similarity 0.6474 NPC471124
Remote Similarity 0.6474 NPC314098
Remote Similarity 0.6471 NPC104345
Remote Similarity 0.6467 NPC258531
Remote Similarity 0.6467 NPC161956
Remote Similarity 0.6467 NPC112373
Remote Similarity 0.6448 NPC242000
Remote Similarity 0.6441 NPC66777
Remote Similarity 0.6436 NPC471122
Remote Similarity 0.6435 NPC469727
Remote Similarity 0.6429 NPC313345
Remote Similarity 0.6429 NPC478039
Remote Similarity 0.6429 NPC313796
Remote Similarity 0.6429 NPC314855
Remote Similarity 0.6429 NPC315638
Remote Similarity 0.6425 NPC112336
Remote Similarity 0.6425 NPC22082
Remote Similarity 0.6425 NPC471164
Remote Similarity 0.6425 NPC186284
Remote Similarity 0.6425 NPC474814
Remote Similarity 0.6418 NPC183805
Remote Similarity 0.6416 NPC477549
Remote Similarity 0.6402 NPC322644
Remote Similarity 0.6402 NPC244856
Remote Similarity 0.64 NPC135601
Remote Similarity 0.64 NPC17273
Remote Similarity 0.64 NPC141612
Remote Similarity 0.6396 NPC286994
Remote Similarity 0.6389 NPC177996
Remote Similarity 0.6389 NPC147983
Remote Similarity 0.6389 NPC472241
Remote Similarity 0.6389 NPC322064
Remote Similarity 0.6385 NPC314834
Remote Similarity 0.6382 NPC285923
Remote Similarity 0.6379 NPC231382
Remote Similarity 0.6379 NPC316746
Remote Similarity 0.6369 NPC315051
Remote Similarity 0.6364 NPC270301
Remote Similarity 0.6358 NPC150863
Remote Similarity 0.6354 NPC472115
Remote Similarity 0.6354 NPC278887
Remote Similarity 0.6354 NPC472114
Remote Similarity 0.6354 NPC314287
Remote Similarity 0.635 NPC476341
Remote Similarity 0.635 NPC133003
Remote Similarity 0.6347 NPC220698
Remote Similarity 0.6339 NPC259678
Remote Similarity 0.6337 NPC250476
Remote Similarity 0.6333 NPC316202
Remote Similarity 0.6328 NPC173295
Remote Similarity 0.6324 NPC272458
Remote Similarity 0.6313 NPC39822
Remote Similarity 0.6313 NPC88110
Remote Similarity 0.6308 NPC307640
Remote Similarity 0.6302 NPC472106
Remote Similarity 0.63 NPC470003
Remote Similarity 0.6298 NPC317727
Remote Similarity 0.6296 NPC306644
Remote Similarity 0.6296 NPC236424
Remote Similarity 0.6294 NPC39818
Remote Similarity 0.629 NPC154602
Remote Similarity 0.6284 NPC472242
Remote Similarity 0.6283 NPC472101
Remote Similarity 0.6283 NPC472120
Remote Similarity 0.6283 NPC475983
Remote Similarity 0.6278 NPC242933
Remote Similarity 0.6276 NPC469529
Remote Similarity 0.6273 NPC272174
Remote Similarity 0.6269 NPC41717
Remote Similarity 0.6267 NPC274842
Remote Similarity 0.6263 NPC474815
Remote Similarity 0.6263 NPC475094
Remote Similarity 0.6257 NPC159722
Remote Similarity 0.6256 NPC477998
Remote Similarity 0.625 NPC470579
Remote Similarity 0.625 NPC314659
Remote Similarity 0.6244 NPC84347
Remote Similarity 0.6244 NPC474896

Drug Structure

External Identifiers

TTD   DIB008856
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   11373432
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  417.22
ALogP  -0.672
MLogP  3.33
XLogP  3.252
HDA  7
HBD  1
Rotatable Bonds  7
TPSA  71.74
RO5 Violation  0