Natural Product: NPC96095

Natural Product ID:  NPC96095
Common Name:   3,11-Dioxoolean-12-Ene-30-Oic Acid
IUPAC Name:   (2S,4aS,6aR,6aS,6bR,8aR,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,14b-dodecahydropicene-2-carboxylic acid
Synonyms:   3-oxo-18beta-glycyrrhetinic acid
Molecular Formula:   C30H44O4
Standard InCHIKey:  QGWDYPREORDRIT-LPXJIFNVSA-N
Standard InCHI:  InChI=1S/C30H44O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,23+,26+,27-,28-,29+,30+/m0/s1
Canonical SMILES:  O=C1C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@]2([C@]2([C@H]1[C@@]1(C)CCC(=O)C([C@@H]1CC2)(C)C)C)C)C(=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
NPO13817 Maytenus undata Species Celastraceae Eukaryota PMID[10843569]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1137 Individual Protein 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens IC50 = 619 nM 10.1039/C0MD00241K
NPT2 Others Unspecified IC50 > 30000 nM 8411013
NPT2 Others Unspecified IC50 > 30000 nM 25499431
NPT1138 Individual Protein 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens Inhibition = 1 % PubChem BioAssay data set
NPT2 Others Unspecified Ratio IC50 = 1 DrugMatrix in vitro pharmacology data
NPT1137 Individual Protein 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens Inhibition = 36 % 10.6019/CHEMBL1201861
NPT2 Others Unspecified IC50 = 18570 nM 22871217
NPT203 Individual Protein Carboxylesterase 2 Homo sapiens IC50 > 100000 nM 16378374
NPT2 Others Unspecified Ratio CC50/IC50 = 1.1 19620329
NPT762 Cell Line A-431 Homo sapiens IC50 > 30000 nM 17060530
NPT2 Others Unspecified IC50 = 2300 nM 22194678
NPT763 Cell Line SW-1736 Homo sapiens IC50 > 30000 nM 15652581
NPT963 Organism Hepatitis B virus Hepatitis B virus IC50 > 467140 nM 22264149
NPT393 Cell Line HCT-116 Homo sapiens IC50 > 30000 nM 15844957
NPT2 Others Unspecified Ratio CC50/IC50 = 2.5 PubChem BioAssay data set
NPT2 Others Unspecified IC50 > 30000 nM 10.6019/CHEMBL1201861
NPT81 Cell Line A549 Homo sapiens IC50 > 30000 nM 10.6019/CHEMBL1201861
NPT1137 Individual Protein 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens Activity = 36 % Open TG-GATES in vivo data: Hematology
NPT963 Organism Hepatitis B virus Hepatitis B virus IC50 = 189310 nM Open TG-GATES in vivo data: Biochemistry
NPT2 Others Unspecified IC50 = 6700 nM 14643325
NPT579 Cell Line DLD-1 Homo sapiens IC50 > 30000 nM 12217376
NPT139 Cell Line HT-29 Homo sapiens IC50 > 30000 nM 20086162
NPT180 Cell Line HCT-8 Homo sapiens IC50 > 30000 nM 20086162
NPT1138 Individual Protein 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens Inhibition = 98.7 % 10.1039/C0MD00267D
NPT1137 Individual Protein 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens Inhibition = 63.8 % 10.1039/C0MD00267D
NPT83 Cell Line MCF7 Homo sapiens IC50 > 30000 nM 22928967
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 45600 nM 21572583
NPT2 Others Unspecified IC50 = 10300 nM 21572583
NPT113 Cell Line RAW264.7 Mus musculus IC50 > 30000 nM 21572583
NPT1138 Individual Protein 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens Activity = 1 % PubChem BioAssay data set
NPT166 Individual Protein Acyl coenzyme A:cholesterol acyltransferase Homo sapiens IC50 > 100000 nM 18474583
NPT2 Others Unspecified CC50 = 467140 nM 10843594
NPT963 Organism Hepatitis B virus Hepatitis B virus IC50 = 432540 nM 23822585
NPT1138 Individual Protein 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens IC50 = 329 nM 23822611

  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 NPC96095 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
0.9615 High Similarity NPC263272
0.9615 High Similarity NPC274050
0.9615 High Similarity NPC267691
0.9615 High Similarity NPC471898
0.9615 High Similarity NPC162632
0.9494 High Similarity NPC251779
0.9494 High Similarity NPC69101
0.9383 High Similarity NPC474537
0.9375 High Similarity NPC70834
0.9367 High Similarity NPC278459
0.9359 High Similarity NPC16394
0.9241 High Similarity NPC37038
0.9231 High Similarity NPC260385
0.9231 High Similarity NPC280654
0.9231 High Similarity NPC110094
0.9176 High Similarity NPC4036
0.9176 High Similarity NPC145067
0.9176 High Similarity NPC65120
0.9176 High Similarity NPC233455
0.9176 High Similarity NPC158030
0.9157 High Similarity NPC158141
0.9157 High Similarity NPC173089
0.9136 High Similarity NPC200752
0.9114 High Similarity NPC199595
0.9114 High Similarity NPC231431
0.9103 High Similarity NPC471897
0.9103 High Similarity NPC107039
0.9103 High Similarity NPC165711
0.9103 High Similarity NPC471899
0.907 High Similarity NPC295643
0.907 High Similarity NPC272075
0.907 High Similarity NPC214756
0.9048 High Similarity NPC474511
0.9048 High Similarity NPC1753
0.9048 High Similarity NPC474474
0.9 High Similarity NPC104545
0.9 High Similarity NPC267517
0.8974 High Similarity NPC89294
0.8974 High Similarity NPC180886
0.8966 High Similarity NPC74751
0.8941 High Similarity NPC112454
0.8941 High Similarity NPC477973
0.8941 High Similarity NPC474700
0.8941 High Similarity NPC281524
0.8902 High Similarity NPC53733
0.8889 High Similarity NPC221647
0.8889 High Similarity NPC3915
0.8889 High Similarity NPC142244
0.8864 High Similarity NPC148523
0.8864 High Similarity NPC139570
0.8851 High Similarity NPC263780
0.8837 High Similarity NPC291028
0.8837 High Similarity NPC46441
0.8837 High Similarity NPC193750
0.8837 High Similarity NPC198818
0.8824 High Similarity NPC182797
0.8824 High Similarity NPC52169
0.8795 High Similarity NPC156981
0.878 High Similarity NPC310989
0.878 High Similarity NPC320514
0.8765 High Similarity NPC477057
0.8765 High Similarity NPC18955
0.8764 High Similarity NPC98874
0.875 High Similarity NPC74410
0.8736 High Similarity NPC474525
0.8736 High Similarity NPC230064
0.8736 High Similarity NPC471588
0.8736 High Similarity NPC174167
0.8736 High Similarity NPC470036
0.8736 High Similarity NPC105189
0.8736 High Similarity NPC38754
0.8736 High Similarity NPC6255
0.8721 High Similarity NPC121798
0.8721 High Similarity NPC263393
0.8721 High Similarity NPC143232
0.8721 High Similarity NPC64872
0.8721 High Similarity NPC270768
0.8721 High Similarity NPC61543
0.8721 High Similarity NPC290972
0.8721 High Similarity NPC234346
0.8721 High Similarity NPC293048
0.8721 High Similarity NPC225585
0.8721 High Similarity NPC127689
0.8721 High Similarity NPC25906
0.8721 High Similarity NPC198664
0.8721 High Similarity NPC130520
0.8721 High Similarity NPC274330
0.8721 High Similarity NPC59263
0.8706 High Similarity NPC142415
0.8706 High Similarity NPC242468
0.8706 High Similarity NPC307426
0.8706 High Similarity NPC102683
0.8706 High Similarity NPC293564
0.8706 High Similarity NPC88716
0.8706 High Similarity NPC136948
0.8706 High Similarity NPC68160
0.8706 High Similarity NPC18064
0.8706 High Similarity NPC171203
0.8706 High Similarity NPC51700
0.8706 High Similarity NPC130577
0.8706 High Similarity NPC98442
0.869 High Similarity NPC469993
0.869 High Similarity NPC29447
0.8675 High Similarity NPC105803
0.8667 High Similarity NPC26413
0.8659 High Similarity NPC147066
0.8659 High Similarity NPC477372
0.8652 High Similarity NPC147232
0.8642 High Similarity NPC192329
0.8636 High Similarity NPC169343
0.8636 High Similarity NPC118490
0.8625 High Similarity NPC472300
0.8621 High Similarity NPC130278
0.8621 High Similarity NPC111110
0.8621 High Similarity NPC210037
0.8621 High Similarity NPC290614
0.8621 High Similarity NPC273621
0.8621 High Similarity NPC252737
0.8621 High Similarity NPC120840
0.8621 High Similarity NPC113989
0.8621 High Similarity NPC477872
0.8621 High Similarity NPC120968
0.8621 High Similarity NPC474728
0.8621 High Similarity NPC7260
0.8621 High Similarity NPC18872
0.8621 High Similarity NPC227467
0.8621 High Similarity NPC470589
0.8621 High Similarity NPC126369
0.8608 High Similarity NPC192540
0.8608 High Similarity NPC279666
0.8605 High Similarity NPC473242
0.8605 High Similarity NPC246708
0.8605 High Similarity NPC470629
0.8605 High Similarity NPC290690
0.8605 High Similarity NPC17733
0.8605 High Similarity NPC181225
0.8605 High Similarity NPC474512
0.8605 High Similarity NPC40552
0.859 High Similarity NPC36310
0.8588 High Similarity NPC72638
0.8588 High Similarity NPC324063
0.8571 High Similarity NPC471966
0.8571 High Similarity NPC312660
0.8571 High Similarity NPC180834
0.8554 High Similarity NPC302661
0.8554 High Similarity NPC238991
0.8539 High Similarity NPC148964
0.8539 High Similarity NPC474529
0.8537 High Similarity NPC2482
0.8523 High Similarity NPC288833
0.8523 High Similarity NPC470590
0.8523 High Similarity NPC52021
0.8523 High Similarity NPC324341
0.8523 High Similarity NPC84319
0.8523 High Similarity NPC300351
0.8523 High Similarity NPC966
0.8523 High Similarity NPC77099
0.8523 High Similarity NPC71074
0.8523 High Similarity NPC235884
0.8523 High Similarity NPC472149
0.8523 High Similarity NPC155120
0.8523 High Similarity NPC25299
0.8523 High Similarity NPC306541
0.8523 High Similarity NPC60755
0.8523 High Similarity NPC285184
0.8523 High Similarity NPC187722
0.8523 High Similarity NPC282616
0.8523 High Similarity NPC228784
0.8519 High Similarity NPC321514
0.8506 High Similarity NPC95246
0.8506 High Similarity NPC30522
0.8506 High Similarity NPC474972
0.8506 High Similarity NPC470588
0.8506 High Similarity NPC161751
0.8506 High Similarity NPC262043
0.85 High Similarity NPC69143
0.8488 Intermediate Similarity NPC476409
0.8488 Intermediate Similarity NPC71507
0.8481 Intermediate Similarity NPC476046
0.8481 Intermediate Similarity NPC255168
0.8481 Intermediate Similarity NPC161923
0.8481 Intermediate Similarity NPC103958
0.8481 Intermediate Similarity NPC251970
0.8481 Intermediate Similarity NPC241854
0.8481 Intermediate Similarity NPC283908
0.8481 Intermediate Similarity NPC183503
0.8471 Intermediate Similarity NPC133954
0.8471 Intermediate Similarity NPC474680
0.8471 Intermediate Similarity NPC274724
0.8462 Intermediate Similarity NPC160817
0.8462 Intermediate Similarity NPC190035
0.8462 Intermediate Similarity NPC473456
0.8452 Intermediate Similarity NPC168188
0.8452 Intermediate Similarity NPC470015
0.8452 Intermediate Similarity NPC102197
0.8452 Intermediate Similarity NPC49019
0.8444 Intermediate Similarity NPC777
0.8434 Intermediate Similarity NPC473217
0.8434 Intermediate Similarity NPC38350
0.8434 Intermediate Similarity NPC201912

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC96095 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
0.9176 High Similarity NPD7515 Phase 2
0.8966 High Similarity NPD7748 Approved
0.8941 High Similarity NPD7285 Clinical (unspecified phase)
0.8667 High Similarity NPD7902 Approved
0.8352 Intermediate Similarity NPD7614 Phase 1
0.8333 Intermediate Similarity NPD7900 Approved
0.8333 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.8313 Intermediate Similarity NPD4695 Discontinued
0.8182 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.8118 Intermediate Similarity NPD4221 Approved
0.8118 Intermediate Similarity NPD4223 Phase 3
0.8046 Intermediate Similarity NPD5329 Approved
0.7978 Intermediate Similarity NPD5737 Approved
0.7978 Intermediate Similarity NPD6672 Approved
0.7955 Intermediate Similarity NPD6409 Approved
0.7955 Intermediate Similarity NPD6684 Approved
0.7955 Intermediate Similarity NPD5330 Approved
0.7955 Intermediate Similarity NPD7146 Approved
0.7955 Intermediate Similarity NPD7521 Approved
0.7955 Intermediate Similarity NPD7334 Approved
0.7931 Intermediate Similarity NPD3666 Approved
0.7931 Intermediate Similarity NPD3133 Approved
0.7931 Intermediate Similarity NPD4197 Approved
0.7931 Intermediate Similarity NPD3665 Phase 1
0.7912 Intermediate Similarity NPD5284 Approved
0.7912 Intermediate Similarity NPD5281 Approved
0.7889 Intermediate Similarity NPD6080 Approved
0.7889 Intermediate Similarity NPD6904 Approved
0.7889 Intermediate Similarity NPD6673 Approved
0.7872 Intermediate Similarity NPD6084 Phase 2
0.7872 Intermediate Similarity NPD6083 Phase 2
0.7865 Intermediate Similarity NPD3573 Approved
0.7857 Intermediate Similarity NPD3617 Approved
0.7826 Intermediate Similarity NPD6399 Phase 3
0.7778 Intermediate Similarity NPD6903 Approved
0.7766 Intermediate Similarity NPD7732 Phase 3
0.7753 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7753 Intermediate Similarity NPD4690 Approved
0.7753 Intermediate Similarity NPD5205 Approved
0.7753 Intermediate Similarity NPD4519 Discontinued
0.7753 Intermediate Similarity NPD4693 Phase 3
0.7753 Intermediate Similarity NPD4138 Approved
0.7753 Intermediate Similarity NPD4623 Approved
0.7753 Intermediate Similarity NPD4689 Approved
0.7753 Intermediate Similarity NPD4688 Approved
0.7753 Intermediate Similarity NPD3618 Phase 1
0.7727 Intermediate Similarity NPD4786 Approved
0.7701 Intermediate Similarity NPD3667 Approved
0.7692 Intermediate Similarity NPD5328 Approved
0.7692 Intermediate Similarity NPD4753 Phase 2
0.766 Intermediate Similarity NPD5695 Phase 3
0.764 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7604 Intermediate Similarity NPD5696 Approved
0.7582 Intermediate Similarity NPD5208 Approved
0.7556 Intermediate Similarity NPD5690 Phase 2
0.7556 Intermediate Similarity NPD6098 Approved
0.7556 Intermediate Similarity NPD5280 Approved
0.7556 Intermediate Similarity NPD4694 Approved
0.7531 Intermediate Similarity NPD4137 Phase 3
0.7527 Intermediate Similarity NPD6079 Approved
0.7527 Intermediate Similarity NPD6050 Approved
0.7527 Intermediate Similarity NPD5693 Phase 1
0.7474 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD4691 Approved
0.7439 Intermediate Similarity NPD4747 Approved
0.7419 Intermediate Similarity NPD5692 Phase 3
0.7363 Intermediate Similarity NPD5279 Phase 3
0.7356 Intermediate Similarity NPD7645 Phase 2
0.7356 Intermediate Similarity NPD4195 Approved
0.734 Intermediate Similarity NPD8035 Phase 2
0.734 Intermediate Similarity NPD8034 Phase 2
0.734 Intermediate Similarity NPD5694 Approved
0.7333 Intermediate Similarity NPD3668 Phase 3
0.7327 Intermediate Similarity NPD6402 Approved
0.7327 Intermediate Similarity NPD7128 Approved
0.7327 Intermediate Similarity NPD5739 Approved
0.7327 Intermediate Similarity NPD6675 Approved
0.7303 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD4629 Approved
0.7292 Intermediate Similarity NPD5210 Approved
0.7263 Intermediate Similarity NPD4202 Approved
0.7245 Intermediate Similarity NPD7638 Approved
0.7234 Intermediate Similarity NPD5207 Approved
0.7222 Intermediate Similarity NPD4788 Approved
0.7216 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD5221 Approved
0.7216 Intermediate Similarity NPD4697 Phase 3
0.7216 Intermediate Similarity NPD5222 Approved
0.7191 Intermediate Similarity NPD8028 Phase 2
0.7188 Intermediate Similarity NPD6001 Approved
0.7184 Intermediate Similarity NPD7320 Approved
0.7184 Intermediate Similarity NPD6881 Approved
0.7184 Intermediate Similarity NPD6899 Approved
0.7176 Intermediate Similarity NPD4058 Approved
0.7176 Intermediate Similarity NPD5733 Approved
0.7172 Intermediate Similarity NPD7639 Approved
0.7172 Intermediate Similarity NPD7640 Approved
0.716 Intermediate Similarity NPD7331 Phase 2
0.716 Intermediate Similarity NPD4224 Phase 2
0.7143 Intermediate Similarity NPD6081 Approved
0.7143 Intermediate Similarity NPD4755 Approved
0.7143 Intermediate Similarity NPD5173 Approved
0.7115 Intermediate Similarity NPD6373 Approved
0.7115 Intermediate Similarity NPD6372 Approved
0.7087 Intermediate Similarity NPD5697 Approved
0.7087 Intermediate Similarity NPD5701 Approved
0.7087 Intermediate Similarity NPD6412 Phase 2
0.7053 Intermediate Similarity NPD4096 Approved
0.7048 Intermediate Similarity NPD7290 Approved
0.7048 Intermediate Similarity NPD7102 Approved
0.7048 Intermediate Similarity NPD6883 Approved
0.7037 Intermediate Similarity NPD7341 Phase 2
0.7019 Intermediate Similarity NPD6011 Approved
0.7 Intermediate Similarity NPD6404 Discontinued
0.7 Intermediate Similarity NPD5285 Approved
0.7 Intermediate Similarity NPD4692 Approved
0.7 Intermediate Similarity NPD5286 Approved
0.7 Intermediate Similarity NPD4700 Approved
0.7 Intermediate Similarity NPD4696 Approved
0.7 Intermediate Similarity NPD4139 Approved
0.6988 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6981 Remote Similarity NPD6617 Approved
0.6981 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6981 Remote Similarity NPD6847 Approved
0.6981 Remote Similarity NPD6869 Approved
0.6981 Remote Similarity NPD8130 Phase 1
0.6981 Remote Similarity NPD6650 Approved
0.6981 Remote Similarity NPD6649 Approved
0.6979 Remote Similarity NPD6411 Approved
0.6977 Remote Similarity NPD4687 Approved
0.6961 Remote Similarity NPD6052 Approved
0.6952 Remote Similarity NPD6013 Approved
0.6952 Remote Similarity NPD6012 Approved
0.6952 Remote Similarity NPD6014 Approved
0.6941 Remote Similarity NPD4243 Approved
0.6941 Remote Similarity NPD5276 Approved
0.6939 Remote Similarity NPD5654 Approved
0.6931 Remote Similarity NPD5223 Approved
0.6916 Remote Similarity NPD8297 Approved
0.6916 Remote Similarity NPD6882 Approved
0.6907 Remote Similarity NPD5133 Approved
0.6903 Remote Similarity NPD8328 Phase 3
0.6863 Remote Similarity NPD5211 Phase 2
0.6863 Remote Similarity NPD5224 Approved
0.6863 Remote Similarity NPD5225 Approved
0.6863 Remote Similarity NPD5091 Approved
0.6863 Remote Similarity NPD4633 Approved
0.6863 Remote Similarity NPD5226 Approved
0.6842 Remote Similarity NPD4518 Approved
0.6818 Remote Similarity NPD7115 Discovery
0.68 Remote Similarity NPD5959 Approved
0.6796 Remote Similarity NPD4754 Approved
0.6796 Remote Similarity NPD5174 Approved
0.6796 Remote Similarity NPD5175 Approved
0.6782 Remote Similarity NPD4785 Approved
0.6782 Remote Similarity NPD4784 Approved
0.6771 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6771 Remote Similarity NPD6101 Approved
0.6762 Remote Similarity NPD6614 Approved
0.6731 Remote Similarity NPD5141 Approved
0.6727 Remote Similarity NPD6868 Approved
0.6705 Remote Similarity NPD7339 Approved
0.6705 Remote Similarity NPD6942 Approved
0.6703 Remote Similarity NPD7525 Registered
0.6702 Remote Similarity NPD1694 Approved
0.6698 Remote Similarity NPD6686 Approved
0.6697 Remote Similarity NPD4632 Approved
0.6667 Remote Similarity NPD6008 Approved
0.6667 Remote Similarity NPD4768 Approved
0.6667 Remote Similarity NPD4767 Approved
0.6667 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6636 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6629 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6629 Remote Similarity NPD6117 Approved
0.6607 Remote Similarity NPD6335 Approved
0.6591 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6588 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6588 Remote Similarity NPD5360 Phase 3
0.6577 Remote Similarity NPD6274 Approved
0.6556 Remote Similarity NPD6116 Phase 1
0.6549 Remote Similarity NPD7100 Approved
0.6549 Remote Similarity NPD7101 Approved
0.6545 Remote Similarity NPD6858 Approved
0.6545 Remote Similarity NPD7094 Approved
0.6542 Remote Similarity NPD4729 Approved
0.6542 Remote Similarity NPD5168 Approved
0.6542 Remote Similarity NPD5128 Approved
0.6542 Remote Similarity NPD4730 Approved
0.6538 Remote Similarity NPD7632 Discontinued
0.6522 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6518 Remote Similarity NPD6317 Approved
0.6518 Remote Similarity NPD6009 Approved
0.6517 Remote Similarity NPD4190 Phase 3
0.6517 Remote Similarity NPD5275 Approved
0.65 Remote Similarity NPD287 Approved
0.65 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6484 Remote Similarity NPD6697 Approved
0.6484 Remote Similarity NPD6115 Approved
0.6484 Remote Similarity NPD6114 Approved
0.6484 Remote Similarity NPD6118 Approved

Structure

External Identifiers

PubChem CID   111253
ChEMBL   CHEMBL493512
ZINC  

Physicochemical Properties

Molecular Weight:  468.32
ALogP:  2.2528
MLogP:  4.32
XLogP:  6.138
# Rotatable Bonds:  9
Polar Surface Area:  71.44
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  34

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
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