Natural Product: NPC478048

Natural Product ID:  NPC478048
Common Name:   Jadomycin G
IUPAC Name:  
Synonyms:   Jadomycin G
Molecular Formula:   C26H23NO9
Standard InCHIKey:  BJZHTUKNMOGRCU-HHBGLFJASA-N
Standard InCHI:  InChI=1S/C26H23NO9/c1-10-6-13-19(14(28)7-10)21-22(27-9-17(30)36-26(13)27)25(33)20-12(24(21)32)4-3-5-16(20)35-18-8-15(29)23(31)11(2)34-18/h3-7,11,15,18,23,26,28-29,31H,8-9H2,1-2H3/t11-,15+,18-,23-,26-/m0/s1
Canonical SMILES:  O=C1O[C@@H]2N(C1)C1=C(c3c2cc(C)cc3O)C(=O)c2c(C1=O)c(ccc2)O[C@H]1C[C@@H](O)[C@H]([C@@H](O1)C)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO28993 Streptomyces venezuelae Species Streptomycetaceae Bacteria PMID[26203536]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 64 ug/ml 19075054
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 32 ug/ml 19075054
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC = 2 ug/ml 19075054
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC = 8 ug/ml 19075054
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC < 128 ug/ml 19075054
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC < 128 ug/ml 19075054
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 64 ug/ml 19075054
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC < 128 ug/ml 19075054
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC = 32 ug/ml 19075054
NPT2 Others Unspecified GI50 = 1680 nM 26203536
NPT2 Others Unspecified TGI = 9600 nM 26203536
NPT2 Others Unspecified LC50 = 38500 nM 26203536

  Similar Natural Products in NPASS

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

●  The left chart: Distribution of similarity level between NPC478048 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9948 High Similarity NPC180210
0.9948 High Similarity NPC478046
0.9948 High Similarity NPC321226
0.9948 High Similarity NPC328856
0.9948 High Similarity NPC478047
0.9948 High Similarity NPC314914
0.9896 High Similarity NPC316368
0.9896 High Similarity NPC284236
0.9795 High Similarity NPC170101
0.8045 Intermediate Similarity NPC316292
0.8021 Intermediate Similarity NPC178281
0.8009 Intermediate Similarity NPC315253
0.799 Intermediate Similarity NPC42286
0.7938 Intermediate Similarity NPC63470
0.7933 Intermediate Similarity NPC314946
0.7917 Intermediate Similarity NPC212099
0.7917 Intermediate Similarity NPC101116
0.7917 Intermediate Similarity NPC278329
0.7917 Intermediate Similarity NPC146837
0.7885 Intermediate Similarity NPC314941
0.7864 Intermediate Similarity NPC315914
0.7816 Intermediate Similarity NPC313453
0.7806 Intermediate Similarity NPC246274
0.7778 Intermediate Similarity NPC203751
0.7778 Intermediate Similarity NPC313582
0.7778 Intermediate Similarity NPC85368
0.7778 Intermediate Similarity NPC313274
0.7773 Intermediate Similarity NPC257728
0.7773 Intermediate Similarity NPC315889
0.7767 Intermediate Similarity NPC14622
0.7767 Intermediate Similarity NPC73020
0.7767 Intermediate Similarity NPC70290
0.7767 Intermediate Similarity NPC315351
0.7767 Intermediate Similarity NPC83019
0.7767 Intermediate Similarity NPC215098
0.7767 Intermediate Similarity NPC124302
0.7767 Intermediate Similarity NPC316412
0.7767 Intermediate Similarity NPC46744
0.7761 Intermediate Similarity NPC475161
0.7761 Intermediate Similarity NPC477860
0.774 Intermediate Similarity NPC316164
0.7739 Intermediate Similarity NPC186800
0.7739 Intermediate Similarity NPC223735
0.7739 Intermediate Similarity NPC307754
0.7739 Intermediate Similarity NPC68381
0.7739 Intermediate Similarity NPC470667
0.7736 Intermediate Similarity NPC153365
0.7727 Intermediate Similarity NPC315619
0.7725 Intermediate Similarity NPC257266
0.7718 Intermediate Similarity NPC204580
0.77 Intermediate Similarity NPC475233
0.77 Intermediate Similarity NPC289876
0.77 Intermediate Similarity NPC475246
0.77 Intermediate Similarity NPC102053
0.7692 Intermediate Similarity NPC314738
0.7692 Intermediate Similarity NPC72788
0.7692 Intermediate Similarity NPC120671
0.7692 Intermediate Similarity NPC314100
0.7692 Intermediate Similarity NPC226652
0.7692 Intermediate Similarity NPC109403
0.7692 Intermediate Similarity NPC261012
0.7688 Intermediate Similarity NPC199357
0.7685 Intermediate Similarity NPC469437
0.765 Intermediate Similarity NPC3718
0.7641 Intermediate Similarity NPC216752
0.7638 Intermediate Similarity NPC30432
0.7638 Intermediate Similarity NPC5029
0.7638 Intermediate Similarity NPC271385
0.7638 Intermediate Similarity NPC76128
0.7638 Intermediate Similarity NPC111536
0.7626 Intermediate Similarity NPC191653
0.7624 Intermediate Similarity NPC58538
0.7624 Intermediate Similarity NPC153578
0.7624 Intermediate Similarity NPC277710
0.7624 Intermediate Similarity NPC114257
0.7624 Intermediate Similarity NPC299149
0.7619 Intermediate Similarity NPC119818
0.7619 Intermediate Similarity NPC328700
0.7619 Intermediate Similarity NPC202771
0.7619 Intermediate Similarity NPC2173
0.7612 Intermediate Similarity NPC66820
0.7612 Intermediate Similarity NPC314489
0.7612 Intermediate Similarity NPC170018
0.7612 Intermediate Similarity NPC76112
0.7612 Intermediate Similarity NPC92403
0.7612 Intermediate Similarity NPC232818
0.7612 Intermediate Similarity NPC46958
0.7612 Intermediate Similarity NPC198893
0.761 Intermediate Similarity NPC105591
0.7602 Intermediate Similarity NPC252156
0.76 Intermediate Similarity NPC98776
0.7598 Intermediate Similarity NPC166979
0.7594 Intermediate Similarity NPC80472
0.7588 Intermediate Similarity NPC298778
0.7586 Intermediate Similarity NPC197357
0.7586 Intermediate Similarity NPC85316
0.7573 Intermediate Similarity NPC205721
0.7562 Intermediate Similarity NPC63105
0.7562 Intermediate Similarity NPC470454
0.7562 Intermediate Similarity NPC199533
0.7559 Intermediate Similarity NPC314596
0.7551 Intermediate Similarity NPC187934
0.7551 Intermediate Similarity NPC97637
0.7538 Intermediate Similarity NPC222455
0.7538 Intermediate Similarity NPC259905
0.7537 Intermediate Similarity NPC245059
0.7537 Intermediate Similarity NPC84494
0.7536 Intermediate Similarity NPC314672
0.7526 Intermediate Similarity NPC206641
0.7526 Intermediate Similarity NPC208651
0.7524 Intermediate Similarity NPC226708
0.7513 Intermediate Similarity NPC17432
0.7512 Intermediate Similarity NPC213052
0.7512 Intermediate Similarity NPC472054
0.7512 Intermediate Similarity NPC224557
0.7512 Intermediate Similarity NPC292706
0.75 Intermediate Similarity NPC470452
0.75 Intermediate Similarity NPC470448
0.75 Intermediate Similarity NPC33256
0.75 Intermediate Similarity NPC164047
0.75 Intermediate Similarity NPC18306
0.75 Intermediate Similarity NPC470453
0.7489 Intermediate Similarity NPC185031
0.7476 Intermediate Similarity NPC87583
0.7476 Intermediate Similarity NPC207239
0.7475 Intermediate Similarity NPC478022
0.7475 Intermediate Similarity NPC474345
0.7475 Intermediate Similarity NPC478026
0.7475 Intermediate Similarity NPC478020
0.7475 Intermediate Similarity NPC99216
0.7474 Intermediate Similarity NPC283480
0.7474 Intermediate Similarity NPC148323
0.7468 Intermediate Similarity NPC478045
0.7463 Intermediate Similarity NPC478001
0.7453 Intermediate Similarity NPC286135
0.7451 Intermediate Similarity NPC212290
0.7449 Intermediate Similarity NPC328093
0.7441 Intermediate Similarity NPC108487
0.7437 Intermediate Similarity NPC178851
0.7436 Intermediate Similarity NPC177742
0.7436 Intermediate Similarity NPC29552
0.7429 Intermediate Similarity NPC314020
0.7426 Intermediate Similarity NPC309692
0.7423 Intermediate Similarity NPC174599
0.7423 Intermediate Similarity NPC192219
0.7423 Intermediate Similarity NPC82190
0.7423 Intermediate Similarity NPC3449
0.7416 Intermediate Similarity NPC308895
0.7404 Intermediate Similarity NPC94499
0.7401 Intermediate Similarity NPC211215
0.7398 Intermediate Similarity NPC53139
0.7391 Intermediate Similarity NPC241847
0.7389 Intermediate Similarity NPC193377
0.7389 Intermediate Similarity NPC146803
0.7387 Intermediate Similarity NPC474301
0.7379 Intermediate Similarity NPC473631
0.7379 Intermediate Similarity NPC473717
0.7379 Intermediate Similarity NPC475662
0.7379 Intermediate Similarity NPC293227
0.7376 Intermediate Similarity NPC183441
0.7376 Intermediate Similarity NPC478002
0.7374 Intermediate Similarity NPC22324
0.7371 Intermediate Similarity NPC209393
0.7371 Intermediate Similarity NPC205172
0.7371 Intermediate Similarity NPC131405
0.7371 Intermediate Similarity NPC470331
0.7371 Intermediate Similarity NPC185103
0.7368 Intermediate Similarity NPC469815
0.7368 Intermediate Similarity NPC469816
0.7363 Intermediate Similarity NPC473202
0.7358 Intermediate Similarity NPC133775
0.7356 Intermediate Similarity NPC174486
0.7353 Intermediate Similarity NPC312630
0.7353 Intermediate Similarity NPC324220
0.7333 Intermediate Similarity NPC48474
0.733 Intermediate Similarity NPC315221
0.7327 Intermediate Similarity NPC478021
0.7327 Intermediate Similarity NPC52598
0.7327 Intermediate Similarity NPC46990
0.7327 Intermediate Similarity NPC76047
0.7317 Intermediate Similarity NPC478000
0.7317 Intermediate Similarity NPC47191
0.7313 Intermediate Similarity NPC298847
0.7311 Intermediate Similarity NPC267414
0.731 Intermediate Similarity NPC231475
0.731 Intermediate Similarity NPC57072
0.7308 Intermediate Similarity NPC475352
0.7308 Intermediate Similarity NPC475220
0.7308 Intermediate Similarity NPC473686
0.7308 Intermediate Similarity NPC221140
0.7308 Intermediate Similarity NPC229817
0.7299 Intermediate Similarity NPC24228
0.7296 Intermediate Similarity NPC478027
0.7295 Intermediate Similarity NPC313452
0.7295 Intermediate Similarity NPC162694
0.7291 Intermediate Similarity NPC292712
0.7291 Intermediate Similarity NPC294501
0.7291 Intermediate Similarity NPC129930
0.7291 Intermediate Similarity NPC20114
0.7291 Intermediate Similarity NPC474075

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC478048 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8084 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.8029 Intermediate Similarity NPD7701 Phase 2
0.7885 Intermediate Similarity NPD8320 Phase 1
0.7885 Intermediate Similarity NPD8319 Approved
0.781 Intermediate Similarity NPD7584 Approved
0.7773 Intermediate Similarity NPD7585 Approved
0.7767 Intermediate Similarity NPD4420 Approved
0.7725 Intermediate Similarity NPD7583 Approved
0.7692 Intermediate Similarity NPD6782 Approved
0.7692 Intermediate Similarity NPD6778 Approved
0.7692 Intermediate Similarity NPD6779 Approved
0.7692 Intermediate Similarity NPD6776 Approved
0.7692 Intermediate Similarity NPD6777 Approved
0.7692 Intermediate Similarity NPD6780 Approved
0.7692 Intermediate Similarity NPD6781 Approved
0.7664 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7664 Intermediate Similarity NPD7783 Phase 2
0.7619 Intermediate Similarity NPD5006 Approved
0.7619 Intermediate Similarity NPD5005 Approved
0.7617 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7617 Intermediate Similarity NPD7874 Approved
0.7612 Intermediate Similarity NPD8312 Approved
0.7612 Intermediate Similarity NPD8313 Approved
0.7583 Intermediate Similarity NPD7698 Approved
0.7583 Intermediate Similarity NPD7697 Approved
0.7583 Intermediate Similarity NPD7696 Phase 3
0.757 Intermediate Similarity NPD8151 Discontinued
0.7561 Intermediate Similarity NPD3808 Clinical (unspecified phase)
0.756 Intermediate Similarity NPD8285 Discontinued
0.7547 Intermediate Similarity NPD7870 Phase 2
0.7547 Intermediate Similarity NPD7871 Phase 2
0.7523 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD8059 Phase 3
0.75 Intermediate Similarity NPD8058 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7435 Discontinued
0.7488 Intermediate Similarity NPD6213 Phase 3
0.7488 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7488 Intermediate Similarity NPD6212 Phase 3
0.7477 Intermediate Similarity NPD7930 Approved
0.7475 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD6823 Phase 2
0.7452 Intermediate Similarity NPD6534 Approved
0.7452 Intermediate Similarity NPD6535 Approved
0.744 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.743 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD7801 Approved
0.7349 Intermediate Similarity NPD7999 Approved
0.7346 Intermediate Similarity NPD7700 Phase 2
0.7346 Intermediate Similarity NPD7699 Phase 2
0.7343 Intermediate Similarity NPD7235 Clinical (unspecified phase)
0.734 Intermediate Similarity NPD6559 Discontinued
0.733 Intermediate Similarity NPD8404 Phase 2
0.7313 Intermediate Similarity NPD7177 Discontinued
0.7311 Intermediate Similarity NPD7565 Approved
0.7286 Intermediate Similarity NPD5710 Approved
0.7286 Intermediate Similarity NPD5711 Approved
0.7277 Intermediate Similarity NPD8366 Approved
0.7277 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7261 Intermediate Similarity NPD8461 Discontinued
0.7225 Intermediate Similarity NPD8491 Approved
0.7193 Intermediate Similarity NPD8469 Approved
0.7179 Intermediate Similarity NPD5890 Approved
0.7179 Intermediate Similarity NPD5889 Approved
0.7172 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD6997 Phase 2
0.7143 Intermediate Similarity NPD6844 Discontinued
0.7143 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3818 Discontinued
0.7136 Intermediate Similarity NPD7238 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD7907 Approved
0.7108 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD7048 Phase 3
0.7089 Intermediate Similarity NPD4361 Phase 2
0.7089 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD7667 Clinical (unspecified phase)
0.7085 Intermediate Similarity NPD8005 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD8150 Discontinued
0.7078 Intermediate Similarity NPD6973 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD3226 Approved
0.707 Intermediate Similarity NPD6874 Approved
0.7042 Intermediate Similarity NPD4360 Phase 2
0.7042 Intermediate Similarity NPD4363 Phase 3
0.7041 Intermediate Similarity NPD6585 Discontinued
0.7035 Intermediate Similarity NPD4111 Phase 1
0.7035 Intermediate Similarity NPD4665 Approved
0.7024 Intermediate Similarity NPD7054 Approved
0.7005 Intermediate Similarity NPD3450 Approved
0.7005 Intermediate Similarity NPD2493 Approved
0.7005 Intermediate Similarity NPD3452 Approved
0.7005 Intermediate Similarity NPD2494 Approved
0.7 Intermediate Similarity NPD3863 Clinical (unspecified phase)
0.6995 Remote Similarity NPD5242 Approved
0.6991 Remote Similarity NPD7811 Phase 3
0.6991 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6991 Remote Similarity NPD7810 Phase 3
0.699 Remote Similarity NPD7074 Phase 3
0.699 Remote Similarity NPD7472 Approved
0.6971 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6966 Remote Similarity NPD6625 Approved
0.6961 Remote Similarity NPD3451 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6797 Phase 2
0.6953 Remote Similarity NPD8067 Phase 3
0.6951 Remote Similarity NPD5676 Approved
0.6942 Remote Similarity NPD3050 Clinical (unspecified phase)
0.6942 Remote Similarity NPD8153 Approved
0.6942 Remote Similarity NPD8152 Approved
0.6931 Remote Similarity NPD4666 Phase 3
0.693 Remote Similarity NPD5433 Clinical (unspecified phase)
0.6927 Remote Similarity NPD3446 Phase 1
0.6923 Remote Similarity NPD7038 Approved
0.6923 Remote Similarity NPD7039 Approved
0.6923 Remote Similarity NPD7251 Discontinued
0.6909 Remote Similarity NPD4582 Approved
0.6909 Remote Similarity NPD4583 Approved
0.6904 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6898 Remote Similarity NPD2973 Approved
0.6898 Remote Similarity NPD2975 Approved
0.6898 Remote Similarity NPD2974 Approved
0.6895 Remote Similarity NPD3057 Approved
0.689 Remote Similarity NPD5026 Approved
0.689 Remote Similarity NPD5034 Approved
0.689 Remote Similarity NPD36 Approved
0.689 Remote Similarity NPD5028 Approved
0.689 Remote Similarity NPD4955 Approved
0.689 Remote Similarity NPD7808 Phase 3
0.689 Remote Similarity NPD4954 Approved
0.6881 Remote Similarity NPD5457 Discontinued
0.6881 Remote Similarity NPD5709 Phase 3
0.6878 Remote Similarity NPD4575 Clinical (unspecified phase)
0.6875 Remote Similarity NPD3823 Discontinued
0.6869 Remote Similarity NPD4380 Phase 2
0.6864 Remote Similarity NPD7597 Clinical (unspecified phase)
0.6864 Remote Similarity NPD4004 Approved
0.6864 Remote Similarity NPD4002 Approved
0.6859 Remote Similarity NPD2346 Discontinued
0.685 Remote Similarity NPD7819 Suspended
0.6849 Remote Similarity NPD7566 Clinical (unspecified phase)
0.6842 Remote Similarity NPD5030 Phase 2
0.684 Remote Similarity NPD5038 Approved
0.684 Remote Similarity NPD5037 Approved
0.6837 Remote Similarity NPD6090 Discontinued
0.6832 Remote Similarity NPD7075 Discontinued
0.6818 Remote Similarity NPD3448 Approved
0.6818 Remote Similarity NPD2649 Approved
0.6818 Remote Similarity NPD2972 Approved
0.6818 Remote Similarity NPD2491 Approved
0.6818 Remote Similarity NPD3533 Approved
0.6818 Remote Similarity NPD2651 Approved
0.6816 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6816 Remote Similarity NPD5402 Approved
0.6816 Remote Similarity NPD6593 Clinical (unspecified phase)
0.6814 Remote Similarity NPD6959 Discontinued
0.6804 Remote Similarity NPD4107 Approved
0.6804 Remote Similarity NPD3295 Clinical (unspecified phase)
0.6804 Remote Similarity NPD4580 Approved
0.6803 Remote Similarity NPD8367 Approved
0.6802 Remote Similarity NPD8161 Suspended
0.6792 Remote Similarity NPD5036 Approved
0.6791 Remote Similarity NPD7296 Approved
0.6781 Remote Similarity NPD7186 Phase 3
0.678 Remote Similarity NPD6232 Discontinued
0.678 Remote Similarity NPD6808 Phase 2
0.6779 Remote Similarity NPD5844 Phase 1
0.6776 Remote Similarity NPD8361 Approved
0.6776 Remote Similarity NPD8360 Approved
0.6763 Remote Similarity NPD7473 Discontinued
0.6761 Remote Similarity NPD8492 Approved
0.6754 Remote Similarity NPD7047 Phase 3
0.675 Remote Similarity NPD6386 Approved
0.675 Remote Similarity NPD6385 Approved
0.6746 Remote Similarity NPD5441 Clinical (unspecified phase)
0.6745 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6744 Remote Similarity NPD2490 Approved
0.6744 Remote Similarity NPD2488 Approved
0.6742 Remote Similarity NPD8162 Phase 2
0.6742 Remote Similarity NPD8163 Clinical (unspecified phase)
0.6742 Remote Similarity NPD6863 Phase 2
0.6741 Remote Similarity NPD4859 Phase 1
0.6733 Remote Similarity NPD7318 Phase 3
0.6731 Remote Similarity NPD3751 Discontinued
0.6731 Remote Similarity NPD5940 Clinical (unspecified phase)
0.6731 Remote Similarity NPD7228 Approved
0.6723 Remote Similarity NPD7654 Discontinued
0.6719 Remote Similarity NPD6032 Approved
0.6716 Remote Similarity NPD6801 Discontinued
0.6715 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6713 Remote Similarity NPD5968 Phase 3
0.6701 Remote Similarity NPD4661 Approved
0.6701 Remote Similarity NPD4662 Approved
0.6698 Remote Similarity NPD6836 Approved
0.6698 Remote Similarity NPD8435 Approved
0.6697 Remote Similarity NPD7476 Discontinued
0.6697 Remote Similarity NPD4482 Phase 3
0.6683 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6683 Remote Similarity NPD8455 Phase 2
0.6683 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6682 Remote Similarity NPD8434 Phase 2
0.6682 Remote Similarity NPD3298 Approved
0.6667 Remote Similarity NPD4846 Phase 2

Structure

External Identifiers

PubChem CID   53322018
ChEMBL   CHEMBL1631760
ZINC  

Physicochemical Properties

Molecular Weight:  493.14
ALogP:  -2.1525
MLogP:  3.22
XLogP:  2.225
# Rotatable Bonds:  7
Polar Surface Area:  142.83
# H-Bond Aceptor:  8
# H-Bond Donor:  3
# Rings:  6
# Heavy Atoms:  36

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