Drug Information

Drug ID:  NPD4515
Drug Name:  SGB-1534
Molecular Formula:  C21H24N4O3
Canonical SMILES:  COc1ccccc1N1CCN(CC1)CCn1c(O)nc2c(c1=O)cccc2
Standard InCHI:  InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
Standard InCHIKey:  ZFDWAPWETDMDSZ-UHFFFAOYSA-N
Max Developmental Stage:  Suspended
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD4515

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 0.837 NPC198401
Intermediate Similarity 0.7923 NPC314659
Intermediate Similarity 0.7914 NPC92803
Intermediate Similarity 0.7903 NPC18890
Intermediate Similarity 0.7869 NPC197335
Intermediate Similarity 0.7816 NPC257851
Intermediate Similarity 0.7784 NPC93653
Intermediate Similarity 0.7772 NPC270301
Intermediate Similarity 0.7701 NPC87391
Intermediate Similarity 0.7654 NPC299582
Intermediate Similarity 0.7627 NPC301163
Intermediate Similarity 0.7626 NPC16249
Intermediate Similarity 0.7565 NPC472539
Intermediate Similarity 0.7565 NPC472540
Intermediate Similarity 0.7565 NPC470787
Intermediate Similarity 0.7556 NPC471130
Intermediate Similarity 0.7542 NPC88970
Intermediate Similarity 0.7526 NPC472542
Intermediate Similarity 0.7526 NPC472541
Intermediate Similarity 0.7429 NPC144691
Intermediate Similarity 0.7393 NPC157931
Intermediate Similarity 0.7358 NPC471762
Intermediate Similarity 0.7358 NPC66777
Intermediate Similarity 0.7356 NPC9373
Intermediate Similarity 0.7351 NPC73280
Intermediate Similarity 0.734 NPC85613
Intermediate Similarity 0.7306 NPC471196
Intermediate Similarity 0.7306 NPC471195
Intermediate Similarity 0.7273 NPC475607
Intermediate Similarity 0.7249 NPC5167
Intermediate Similarity 0.7241 NPC329567
Intermediate Similarity 0.7241 NPC330683
Intermediate Similarity 0.7238 NPC154478
Intermediate Similarity 0.7234 NPC474081
Intermediate Similarity 0.7222 NPC84317
Intermediate Similarity 0.7219 NPC475594
Intermediate Similarity 0.7219 NPC266425
Intermediate Similarity 0.7204 NPC471648
Intermediate Similarity 0.7196 NPC474041
Intermediate Similarity 0.7157 NPC285192
Intermediate Similarity 0.715 NPC150308
Intermediate Similarity 0.715 NPC262725
Intermediate Similarity 0.7136 NPC112937
Intermediate Similarity 0.7129 NPC295548
Intermediate Similarity 0.7108 NPC478075
Intermediate Similarity 0.7105 NPC475761
Intermediate Similarity 0.7095 NPC248601
Intermediate Similarity 0.7092 NPC1820
Intermediate Similarity 0.7076 NPC300299
Intermediate Similarity 0.7076 NPC29650
Intermediate Similarity 0.7068 NPC475685
Intermediate Similarity 0.7065 NPC257763
Intermediate Similarity 0.7059 NPC225400
Intermediate Similarity 0.7048 NPC15384
Intermediate Similarity 0.7048 NPC244425
Intermediate Similarity 0.7035 NPC138365
Intermediate Similarity 0.7031 NPC472163
Intermediate Similarity 0.7027 NPC138293
Intermediate Similarity 0.7027 NPC113056
Intermediate Similarity 0.7026 NPC473815
Intermediate Similarity 0.7024 NPC472538
Intermediate Similarity 0.7024 NPC470786
Intermediate Similarity 0.7024 NPC471155
Remote Similarity 0.699 NPC270241
Remote Similarity 0.6989 NPC308197
Remote Similarity 0.6986 NPC30749
Remote Similarity 0.6979 NPC283810
Remote Similarity 0.697 NPC206109
Remote Similarity 0.697 NPC114039
Remote Similarity 0.6967 NPC471197
Remote Similarity 0.6965 NPC71124
Remote Similarity 0.6965 NPC234933
Remote Similarity 0.6954 NPC83214
Remote Similarity 0.6954 NPC45389
Remote Similarity 0.6947 NPC470548
Remote Similarity 0.6942 NPC212123
Remote Similarity 0.6935 NPC189116
Remote Similarity 0.6935 NPC204867
Remote Similarity 0.6934 NPC471198
Remote Similarity 0.6931 NPC5374
Remote Similarity 0.6912 NPC15987
Remote Similarity 0.6905 NPC250476
Remote Similarity 0.6884 NPC220851
Remote Similarity 0.6881 NPC100863
Remote Similarity 0.6878 NPC41216
Remote Similarity 0.6872 NPC324445
Remote Similarity 0.6869 NPC323969
Remote Similarity 0.6869 NPC473569
Remote Similarity 0.6857 NPC305542
Remote Similarity 0.6856 NPC116096
Remote Similarity 0.685 NPC254957
Remote Similarity 0.6845 NPC268077
Remote Similarity 0.6845 NPC163829
Remote Similarity 0.6842 NPC231382
Remote Similarity 0.6832 NPC316282
Remote Similarity 0.6831 NPC471132
Remote Similarity 0.6828 NPC27904
Remote Similarity 0.6823 NPC8467
Remote Similarity 0.682 NPC122886
Remote Similarity 0.6818 NPC207554
Remote Similarity 0.6812 NPC158551
Remote Similarity 0.6796 NPC242000
Remote Similarity 0.6796 NPC207971
Remote Similarity 0.6791 NPC289776
Remote Similarity 0.6791 NPC133470
Remote Similarity 0.6791 NPC191863
Remote Similarity 0.6784 NPC174629
Remote Similarity 0.6776 NPC134702
Remote Similarity 0.6776 NPC117032
Remote Similarity 0.6766 NPC471825
Remote Similarity 0.6763 NPC473422
Remote Similarity 0.6757 NPC315257
Remote Similarity 0.6749 NPC470021
Remote Similarity 0.6745 NPC268223
Remote Similarity 0.6743 NPC115588
Remote Similarity 0.6736 NPC471743
Remote Similarity 0.6714 NPC148391
Remote Similarity 0.6705 NPC207428
Remote Similarity 0.6699 NPC198160
Remote Similarity 0.6698 NPC182853
Remote Similarity 0.6695 NPC303374
Remote Similarity 0.6685 NPC2823
Remote Similarity 0.6684 NPC182131
Remote Similarity 0.6683 NPC21425
Remote Similarity 0.6683 NPC106118
Remote Similarity 0.6683 NPC241263
Remote Similarity 0.6682 NPC118189
Remote Similarity 0.6682 NPC329631
Remote Similarity 0.6667 NPC114468
Remote Similarity 0.6667 NPC311357
Remote Similarity 0.6667 NPC471199
Remote Similarity 0.6651 NPC246140
Remote Similarity 0.6651 NPC195787
Remote Similarity 0.6637 NPC49547
Remote Similarity 0.6636 NPC2905
Remote Similarity 0.6635 NPC473460
Remote Similarity 0.6634 NPC204970
Remote Similarity 0.6634 NPC473004
Remote Similarity 0.662 NPC87560
Remote Similarity 0.662 NPC470482
Remote Similarity 0.662 NPC195120
Remote Similarity 0.662 NPC470481
Remote Similarity 0.6619 NPC308943
Remote Similarity 0.6615 NPC9475
Remote Similarity 0.6615 NPC315631
Remote Similarity 0.6607 NPC257490
Remote Similarity 0.6606 NPC13249
Remote Similarity 0.6606 NPC7560
Remote Similarity 0.6606 NPC74575
Remote Similarity 0.6606 NPC76478
Remote Similarity 0.6604 NPC474366
Remote Similarity 0.6601 NPC230403
Remote Similarity 0.6599 NPC28368
Remote Similarity 0.6599 NPC288305
Remote Similarity 0.6597 NPC314861
Remote Similarity 0.6593 NPC314702
Remote Similarity 0.6591 NPC173295
Remote Similarity 0.6588 NPC287208
Remote Similarity 0.6587 NPC288759
Remote Similarity 0.6584 NPC22476
Remote Similarity 0.6583 NPC235194
Remote Similarity 0.6582 NPC474815
Remote Similarity 0.658 NPC85482
Remote Similarity 0.658 NPC318183
Remote Similarity 0.6578 NPC471649
Remote Similarity 0.6577 NPC194740
Remote Similarity 0.6574 NPC313327
Remote Similarity 0.6573 NPC218303
Remote Similarity 0.6573 NPC471532
Remote Similarity 0.6573 NPC471316
Remote Similarity 0.657 NPC218323
Remote Similarity 0.657 NPC67904
Remote Similarity 0.657 NPC138830
Remote Similarity 0.6564 NPC151171
Remote Similarity 0.6564 NPC473432
Remote Similarity 0.6562 NPC33507
Remote Similarity 0.6562 NPC471651
Remote Similarity 0.656 NPC128115
Remote Similarity 0.6559 NPC295021
Remote Similarity 0.6558 NPC176113
Remote Similarity 0.655 NPC116007
Remote Similarity 0.6548 NPC298320
Remote Similarity 0.6548 NPC166169
Remote Similarity 0.6546 NPC307640
Remote Similarity 0.6543 NPC287757
Remote Similarity 0.6543 NPC319320
Remote Similarity 0.6542 NPC116178
Remote Similarity 0.6537 NPC470023
Remote Similarity 0.6537 NPC170333
Remote Similarity 0.6526 NPC199737
Remote Similarity 0.6524 NPC313112
Remote Similarity 0.6524 NPC301292
Remote Similarity 0.6514 NPC288987
Remote Similarity 0.6512 NPC217903
Remote Similarity 0.6512 NPC321166
Remote Similarity 0.651 NPC471652
Remote Similarity 0.6509 NPC100573
Remote Similarity 0.6509 NPC207873
Remote Similarity 0.6505 NPC161804
Remote Similarity 0.65 NPC473007

Drug Structure

External Identifiers

TTD   DIB001799
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  380.18
ALogP  -0.1538
MLogP  3
XLogP  3.193
HDA  6
HBD  1
Rotatable Bonds  7
TPSA  68.61
RO5 Violation  0