Natural Product: NPC134047

Natural Product ID:  NPC134047
Common Name:   Dimethyl Lithospermate
IUPAC Name:   methyl (2S,3S)-2-(3,4-dihydroxyphenyl)-4-[(E)-3-[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylate
Synonyms:   Dimethyl Lithospermate
Molecular Formula:   C29H26O12
Standard InCHIKey:  YAXTXMBBIHBGPZ-ZBBBDWFHSA-N
Standard InCHI:  InChI=1S/C29H26O12/c1-38-28(36)22(12-14-3-7-17(30)20(33)11-14)40-23(35)10-6-15-4-9-19(32)27-24(15)25(29(37)39-2)26(41-27)16-5-8-18(31)21(34)13-16/h3-11,13,22,25-26,30-34H,12H2,1-2H3/b10-6+/t22-,25+,26-/m1/s1
Canonical SMILES:  COC(=O)[C@@H](Cc1ccc(c(c1)O)O)OC(=O)/C=C/c1ccc(c2c1[C@H](C(=O)OC)[C@H](O2)c1ccc(c(c1)O)O)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
NPO21508 Tilia tomentosa Species Malvaceae Eukaryota UNPD*
NPO21453 Variolaria amara NA NA NA UNPD*
NPO11115 Aspilia mossambicensis Species Asteraceae Eukaryota UNPD*
NPO11816.1 Vigna unguiculata subsp. unguiculata Subspecies Fabaceae Eukaryota UNPD*
NPO20297 Arnebia guttata Species Boraginaceae Eukaryota UNPD*
NPO6135 Ehretia philippinensis Species Ehretiaceae Eukaryota UNPD*
NPO28032 Cynoglossum stylosum Species Boraginaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT69 Individual Protein Matrix metalloproteinase-1 Homo sapiens IC50 = 8230 nM 22658537
NPT568 Individual Protein Matrix metalloproteinase-2 Homo sapiens IC50 = 11650 nM 22658537
NPT567 Individual Protein Matrix metalloproteinase 3 Homo sapiens IC50 = 8150 nM 22658537
NPT280 Individual Protein Matrix metalloproteinase 9 Homo sapiens IC50 = 990 nM 22658537
NPT1089 Individual Protein Matrix metalloproteinase 12 Homo sapiens IC50 = 670 nM 22658537
NPT1090 Individual Protein Matrix metalloproteinase 13 Homo sapiens IC50 = 18520 nM 22658537
NPT69 Individual Protein Matrix metalloproteinase-1 Homo sapiens Inhibition > 30 % 22658537
NPT568 Individual Protein Matrix metalloproteinase-2 Homo sapiens Inhibition > 30 % 22658537
NPT567 Individual Protein Matrix metalloproteinase 3 Homo sapiens Inhibition > 30 % 22658537
NPT280 Individual Protein Matrix metalloproteinase 9 Homo sapiens Inhibition > 30 % 22658537
NPT1089 Individual Protein Matrix metalloproteinase 12 Homo sapiens Inhibition > 30 % 22658537
NPT1090 Individual Protein Matrix metalloproteinase 13 Homo sapiens Inhibition > 30 % 22658537
NPT2 Others Unspecified IC50 = 3770 nM 24530004

  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 NPC134047 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
1.0 High Similarity NPC272750
1.0 High Similarity NPC223006
1.0 High Similarity NPC173729
0.9935 High Similarity NPC144557
0.9623 High Similarity NPC186100
0.9623 High Similarity NPC216403
0.9623 High Similarity NPC41494
0.9125 High Similarity NPC469889
0.9103 High Similarity NPC267091
0.9062 High Similarity NPC472962
0.9062 High Similarity NPC472961
0.9038 High Similarity NPC243891
0.9038 High Similarity NPC300329
0.9012 High Similarity NPC45943
0.8974 High Similarity NPC259576
0.8974 High Similarity NPC221091
0.8935 High Similarity NPC475996
0.8889 High Similarity NPC216916
0.8861 High Similarity NPC476434
0.8855 High Similarity NPC91043
0.8831 High Similarity NPC160378
0.8827 High Similarity NPC301089
0.8827 High Similarity NPC53889
0.8812 High Similarity NPC80489
0.8805 High Similarity NPC44730
0.8805 High Similarity NPC295646
0.8802 High Similarity NPC476370
0.8802 High Similarity NPC247964
0.8788 High Similarity NPC477517
0.8782 High Similarity NPC299090
0.8782 High Similarity NPC283081
0.8782 High Similarity NPC221383
0.8782 High Similarity NPC143892
0.8773 High Similarity NPC112418
0.8765 High Similarity NPC87317
0.875 High Similarity NPC316539
0.875 High Similarity NPC476374
0.8743 High Similarity NPC279209
0.8743 High Similarity NPC180768
0.8743 High Similarity NPC102277
0.8735 High Similarity NPC215802
0.8735 High Similarity NPC167231
0.8728 High Similarity NPC475360
0.8726 High Similarity NPC472969
0.872 High Similarity NPC164937
0.872 High Similarity NPC471745
0.872 High Similarity NPC144843
0.8713 High Similarity NPC170203
0.8712 High Similarity NPC471744
0.8704 High Similarity NPC289322
0.8704 High Similarity NPC38779
0.8704 High Similarity NPC114179
0.8704 High Similarity NPC160512
0.8704 High Similarity NPC156818
0.8704 High Similarity NPC143328
0.8704 High Similarity NPC68324
0.8701 High Similarity NPC67467
0.8696 High Similarity NPC180901
0.8696 High Similarity NPC300757
0.8688 High Similarity NPC131121
0.8683 High Similarity NPC280493
0.8678 High Similarity NPC205721
0.8675 High Similarity NPC472452
0.8675 High Similarity NPC43065
0.8671 High Similarity NPC98809
0.8671 High Similarity NPC476394
0.8667 High Similarity NPC89131
0.8655 High Similarity NPC244903
0.8654 High Similarity NPC53884
0.8654 High Similarity NPC258671
0.8654 High Similarity NPC223185
0.8647 High Similarity NPC154741
0.8647 High Similarity NPC296018
0.8642 High Similarity NPC291948
0.8642 High Similarity NPC88803
0.8642 High Similarity NPC227062
0.8642 High Similarity NPC150227
0.8642 High Similarity NPC104983
0.8642 High Similarity NPC470896
0.8642 High Similarity NPC54928
0.8642 High Similarity NPC300845
0.8642 High Similarity NPC250436
0.8642 High Similarity NPC473275
0.8636 High Similarity NPC38473
0.8634 High Similarity NPC469888
0.8634 High Similarity NPC477299
0.8625 High Similarity NPC246566
0.8625 High Similarity NPC95498
0.8623 High Similarity NPC298847
0.8623 High Similarity NPC150131
0.8623 High Similarity NPC311912
0.8608 High Similarity NPC192568
0.8608 High Similarity NPC471076
0.8608 High Similarity NPC236166
0.8606 High Similarity NPC22324
0.8606 High Similarity NPC42797
0.8606 High Similarity NPC272722
0.8606 High Similarity NPC473445
0.8598 High Similarity NPC200594
0.8598 High Similarity NPC47623
0.8598 High Similarity NPC24164
0.8598 High Similarity NPC24627
0.8598 High Similarity NPC44507
0.8598 High Similarity NPC155101
0.8596 High Similarity NPC98546
0.8596 High Similarity NPC476773
0.8596 High Similarity NPC297807
0.859 High Similarity NPC304956
0.8589 High Similarity NPC223335
0.8589 High Similarity NPC299520
0.8589 High Similarity NPC129684
0.8589 High Similarity NPC40920
0.8589 High Similarity NPC77679
0.8589 High Similarity NPC471479
0.8589 High Similarity NPC190020
0.8589 High Similarity NPC84935
0.8589 High Similarity NPC471515
0.8588 High Similarity NPC287243
0.8581 High Similarity NPC253722
0.8581 High Similarity NPC31751
0.8581 High Similarity NPC253481
0.858 High Similarity NPC79998
0.858 High Similarity NPC199926
0.858 High Similarity NPC268008
0.858 High Similarity NPC469506
0.8571 High Similarity NPC65591
0.8571 High Similarity NPC473236
0.8571 High Similarity NPC178574
0.8571 High Similarity NPC289690
0.8571 High Similarity NPC88557
0.8571 High Similarity NPC115203
0.8571 High Similarity NPC288452
0.8554 High Similarity NPC291977
0.8554 High Similarity NPC475985
0.8545 High Similarity NPC92589
0.8544 High Similarity NPC85734
0.8544 High Similarity NPC229264
0.8544 High Similarity NPC32058
0.8538 High Similarity NPC473713
0.8537 High Similarity NPC471750
0.8537 High Similarity NPC55738
0.8537 High Similarity NPC469654
0.8537 High Similarity NPC195832
0.8535 High Similarity NPC163898
0.8529 High Similarity NPC476640
0.8529 High Similarity NPC82217
0.8529 High Similarity NPC216842
0.8529 High Similarity NPC474568
0.8528 High Similarity NPC478055
0.8528 High Similarity NPC163635
0.8528 High Similarity NPC165483
0.8528 High Similarity NPC471500
0.8528 High Similarity NPC265511
0.8528 High Similarity NPC318432
0.8523 High Similarity NPC295436
0.8523 High Similarity NPC201814
0.8521 High Similarity NPC476365
0.8521 High Similarity NPC72249
0.8521 High Similarity NPC477883
0.8519 High Similarity NPC281703
0.8519 High Similarity NPC25127
0.8519 High Similarity NPC287504
0.8519 High Similarity NPC125487
0.8516 High Similarity NPC100675
0.8514 High Similarity NPC269625
0.8512 High Similarity NPC186392
0.8512 High Similarity NPC469521
0.8512 High Similarity NPC283041
0.8509 High Similarity NPC163883
0.8509 High Similarity NPC93498
0.8509 High Similarity NPC270268
0.8509 High Similarity NPC75695
0.8503 High Similarity NPC36
0.8503 High Similarity NPC142614
0.8503 High Similarity NPC36320
0.8503 High Similarity NPC58223
0.8503 High Similarity NPC471788
0.8503 High Similarity NPC326520
0.8503 High Similarity NPC125039
0.8503 High Similarity NPC72787
0.8503 High Similarity NPC472277
0.8503 High Similarity NPC191930
0.8503 High Similarity NPC45449
0.8503 High Similarity NPC36916
0.8503 High Similarity NPC7688
0.8503 High Similarity NPC7154
0.8497 Intermediate Similarity NPC47883
0.8494 Intermediate Similarity NPC249070
0.8494 Intermediate Similarity NPC476372
0.8494 Intermediate Similarity NPC472964
0.8494 Intermediate Similarity NPC476371
0.8491 Intermediate Similarity NPC98009
0.8491 Intermediate Similarity NPC1580
0.8488 Intermediate Similarity NPC35167
0.8488 Intermediate Similarity NPC139571
0.8488 Intermediate Similarity NPC217520
0.8488 Intermediate Similarity NPC47191
0.8485 Intermediate Similarity NPC292415
0.8485 Intermediate Similarity NPC36217
0.8485 Intermediate Similarity NPC300680

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC134047 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
0.8642 High Similarity NPD3882 Suspended
0.8642 High Similarity NPD4868 Clinical (unspecified phase)
0.8554 High Similarity NPD7184 Clinical (unspecified phase)
0.8503 High Similarity NPD6168 Clinical (unspecified phase)
0.8503 High Similarity NPD6166 Phase 2
0.8503 High Similarity NPD6167 Clinical (unspecified phase)
0.8466 Intermediate Similarity NPD3817 Phase 2
0.8439 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.8402 Intermediate Similarity NPD3818 Discontinued
0.8383 Intermediate Similarity NPD6232 Discontinued
0.8344 Intermediate Similarity NPD1934 Approved
0.8343 Intermediate Similarity NPD7473 Discontinued
0.8323 Intermediate Similarity NPD7199 Phase 2
0.8313 Intermediate Similarity NPD6234 Discontinued
0.8291 Intermediate Similarity NPD6190 Approved
0.8266 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8256 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8253 Intermediate Similarity NPD7075 Discontinued
0.8246 Intermediate Similarity NPD5844 Phase 1
0.8187 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.8182 Intermediate Similarity NPD1465 Phase 2
0.8182 Intermediate Similarity NPD2801 Approved
0.8182 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8121 Intermediate Similarity NPD37 Approved
0.809 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8084 Intermediate Similarity NPD4966 Approved
0.8084 Intermediate Similarity NPD4965 Approved
0.8084 Intermediate Similarity NPD4967 Phase 2
0.8072 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8047 Intermediate Similarity NPD5494 Approved
0.8046 Intermediate Similarity NPD6797 Phase 2
0.8012 Intermediate Similarity NPD6801 Discontinued
0.8 Intermediate Similarity NPD7251 Discontinued
0.7989 Intermediate Similarity NPD7074 Phase 3
0.7987 Intermediate Similarity NPD6798 Discontinued
0.7977 Intermediate Similarity NPD7228 Approved
0.7975 Intermediate Similarity NPD1512 Approved
0.7964 Intermediate Similarity NPD7819 Suspended
0.7963 Intermediate Similarity NPD6799 Approved
0.7955 Intermediate Similarity NPD7808 Phase 3
0.7949 Intermediate Similarity NPD6355 Discontinued
0.7931 Intermediate Similarity NPD7054 Approved
0.7917 Intermediate Similarity NPD5402 Approved
0.7892 Intermediate Similarity NPD6599 Discontinued
0.7888 Intermediate Similarity NPD4628 Phase 3
0.7886 Intermediate Similarity NPD7472 Approved
0.7885 Intermediate Similarity NPD4060 Phase 1
0.7877 Intermediate Similarity NPD8434 Phase 2
0.7874 Intermediate Similarity NPD3751 Discontinued
0.7853 Intermediate Similarity NPD1511 Approved
0.7831 Intermediate Similarity NPD3226 Approved
0.7826 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7824 Intermediate Similarity NPD3749 Approved
0.7821 Intermediate Similarity NPD6233 Phase 2
0.7818 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7809 Intermediate Similarity NPD8313 Approved
0.7809 Intermediate Similarity NPD8312 Approved
0.7805 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7803 Intermediate Similarity NPD3926 Phase 2
0.7802 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7797 Intermediate Similarity NPD7685 Pre-registration
0.7791 Intermediate Similarity NPD8127 Discontinued
0.7778 Intermediate Similarity NPD919 Approved
0.7746 Intermediate Similarity NPD3787 Discontinued
0.7738 Intermediate Similarity NPD7411 Suspended
0.7719 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7711 Intermediate Similarity NPD5403 Approved
0.7706 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD6559 Discontinued
0.7697 Intermediate Similarity NPD2533 Approved
0.7697 Intermediate Similarity NPD2532 Approved
0.7697 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD2534 Approved
0.7688 Intermediate Similarity NPD6959 Discontinued
0.7679 Intermediate Similarity NPD4380 Phase 2
0.7654 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7644 Intermediate Similarity NPD7229 Phase 3
0.7643 Intermediate Similarity NPD3764 Approved
0.7627 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.761 Intermediate Similarity NPD447 Suspended
0.759 Intermediate Similarity NPD5401 Approved
0.7586 Intermediate Similarity NPD1247 Approved
0.7582 Intermediate Similarity NPD8150 Discontinued
0.7578 Intermediate Similarity NPD7033 Discontinued
0.7561 Intermediate Similarity NPD3750 Approved
0.7558 Intermediate Similarity NPD7768 Phase 2
0.7557 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7546 Intermediate Similarity NPD1549 Phase 2
0.7531 Intermediate Similarity NPD2935 Discontinued
0.7515 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7240 Approved
0.75 Intermediate Similarity NPD230 Phase 1
0.7485 Intermediate Similarity NPD5763 Approved
0.7485 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD2344 Approved
0.7485 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD5762 Approved
0.7485 Intermediate Similarity NPD2346 Discontinued
0.7485 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7469 Intermediate Similarity NPD2799 Discontinued
0.7468 Intermediate Similarity NPD7095 Approved
0.7468 Intermediate Similarity NPD1608 Approved
0.7456 Intermediate Similarity NPD1653 Approved
0.7455 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7455 Intermediate Similarity NPD4110 Phase 3
0.7442 Intermediate Similarity NPD8455 Phase 2
0.744 Intermediate Similarity NPD6273 Approved
0.7438 Intermediate Similarity NPD1613 Approved
0.7438 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD2796 Approved
0.7421 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD7435 Discontinued
0.7382 Intermediate Similarity NPD2493 Approved
0.7382 Intermediate Similarity NPD2494 Approved
0.7378 Intermediate Similarity NPD7266 Discontinued
0.7366 Intermediate Similarity NPD2488 Approved
0.7366 Intermediate Similarity NPD2490 Approved
0.7362 Intermediate Similarity NPD1510 Phase 2
0.7358 Intermediate Similarity NPD4582 Approved
0.7358 Intermediate Similarity NPD4583 Approved
0.7358 Intermediate Similarity NPD3027 Phase 3
0.7349 Intermediate Similarity NPD8166 Discontinued
0.7342 Intermediate Similarity NPD9494 Approved
0.7325 Intermediate Similarity NPD2797 Approved
0.7312 Intermediate Similarity NPD3268 Approved
0.7308 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7306 Intermediate Similarity NPD4002 Approved
0.7306 Intermediate Similarity NPD4004 Approved
0.7305 Intermediate Similarity NPD2309 Approved
0.7296 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD3450 Approved
0.7292 Intermediate Similarity NPD3452 Approved
0.7284 Intermediate Similarity NPD1933 Approved
0.7283 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD17 Approved
0.7273 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD4062 Phase 3
0.7263 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD3748 Approved
0.7256 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD7003 Approved
0.7246 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.724 Intermediate Similarity NPD6781 Approved
0.724 Intermediate Similarity NPD6777 Approved
0.724 Intermediate Similarity NPD6782 Approved
0.724 Intermediate Similarity NPD6780 Approved
0.724 Intermediate Similarity NPD6776 Approved
0.724 Intermediate Similarity NPD6778 Approved
0.724 Intermediate Similarity NPD6779 Approved
0.7233 Intermediate Similarity NPD2861 Phase 2
0.7233 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD5958 Discontinued
0.7225 Intermediate Similarity NPD6385 Approved
0.7225 Intermediate Similarity NPD6386 Approved
0.7222 Intermediate Similarity NPD1240 Approved
0.7222 Intermediate Similarity NPD943 Approved
0.7216 Intermediate Similarity NPD7680 Approved
0.7213 Intermediate Similarity NPD7039 Approved
0.7213 Intermediate Similarity NPD7038 Approved
0.7212 Intermediate Similarity NPD1551 Phase 2
0.7212 Intermediate Similarity NPD2438 Suspended
0.7209 Intermediate Similarity NPD7458 Discontinued
0.7205 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD2313 Discontinued
0.7193 Intermediate Similarity NPD920 Approved
0.7188 Intermediate Similarity NPD6832 Phase 2
0.7188 Intermediate Similarity NPD4908 Phase 1
0.7188 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD6674 Discontinued
0.7182 Intermediate Similarity NPD7177 Discontinued
0.7176 Intermediate Similarity NPD3688 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD7446 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD3146 Approved
0.7175 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7173 Intermediate Similarity NPD2975 Approved
0.7173 Intermediate Similarity NPD2973 Approved
0.7173 Intermediate Similarity NPD2974 Approved
0.7172 Intermediate Similarity NPD7874 Approved
0.7172 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD6002 Phase 3
0.7169 Intermediate Similarity NPD6005 Phase 3
0.7169 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD1471 Phase 3
0.7169 Intermediate Similarity NPD6004 Phase 3
0.7151 Intermediate Similarity NPD5710 Approved
0.7151 Intermediate Similarity NPD5711 Approved
0.715 Intermediate Similarity NPD4580 Approved
0.715 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5760 Phase 2
0.7143 Intermediate Similarity NPD5761 Phase 2
0.7136 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD7783 Phase 2
0.7134 Intermediate Similarity NPD1607 Approved
0.7126 Intermediate Similarity NPD2897 Discontinued
0.7126 Intermediate Similarity NPD4534 Discontinued
0.7121 Intermediate Similarity NPD8151 Discontinued
0.7117 Intermediate Similarity NPD3620 Phase 2

Structure

External Identifiers

PubChem CID   70688393
ChEMBL   CHEMBL2048505
ZINC  

Physicochemical Properties

Molecular Weight:  566.14
ALogP:  -2.453
MLogP:  3.33
XLogP:  2.519
# Rotatable Bonds:  18
Polar Surface Area:  189.28
# H-Bond Aceptor:  6
# H-Bond Donor:  5
# Rings:  4
# Heavy Atoms:  41

Download Data

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Biological Activities  
Similar NPs/Drugs