Natural Product: NPC213914

Natural Product ID:  NPC213914
Common Name:   Caulibugulone D
IUPAC Name:   7-(2-hydroxyethylamino)isoquinoline-5,8-dione
Synonyms:   Caulibugulone D
Molecular Formula:   C11H10N2O3
Standard InCHIKey:  JPUNXFPVVKDHNP-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C11H10N2O3/c14-4-3-13-9-5-10(15)7-1-2-12-6-8(7)11(9)16/h1-2,5-6,13-14H,3-4H2
Canonical SMILES:  OCCNC1=CC(=O)c2c(C1=O)cncc2
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
NPO32967 caulibugula intermis Species Reduviidae Eukaryota PMID[14738389]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT58 Individual Protein Bloom syndrome protein Homo sapiens Potency = 28183.8 nM 16792411
NPT2 Others Unspecified IC50 = 1.67 ug/ml DrugMatrix in vivo data: Pathology
NPT2 Others Unspecified Potency = 1995.3 nM 25576739
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 15848.9 nM 7931367
NPT1226 Individual Protein Caspase-7 Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 39810.7 nM 22260257
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency = 3162.3 nM 17450125
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 7943.3 nM 10.6019/CHEMBL1201861
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency = 3981.1 nM 12350153
NPT93 Individual Protein Survival motor neuron protein Homo sapiens Potency = 5011.9 nM 19035792
NPT150 Individual Protein Anthrax lethal factor Bacillus anthracis Potency = 25118.9 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 7943.3 nM 11678651
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 6309.6 nM 23354070
NPT1139 Individual Protein Arachidonate 15-lipoxygenase, type II Homo sapiens Potency 15848.9 nM 2045816
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 3548.1 nM 18183025
NPT277 Individual Protein Caspase-1 Homo sapiens Potency = 3162.3 nM 20713679

  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 NPC213914 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
0.9592 High Similarity NPC209362
0.9384 High Similarity NPC105811
0.9116 High Similarity NPC467188
0.8947 High Similarity NPC229055
0.8889 High Similarity NPC74357
0.8882 High Similarity NPC251391
0.8816 High Similarity NPC70406
0.8808 High Similarity NPC123906
0.8506 High Similarity NPC313889
0.7988 Intermediate Similarity NPC233380
0.7973 Intermediate Similarity NPC471589
0.7963 Intermediate Similarity NPC474492
0.7833 Intermediate Similarity NPC103361
0.7805 Intermediate Similarity NPC100104
0.7805 Intermediate Similarity NPC470680
0.7784 Intermediate Similarity NPC70949
0.7778 Intermediate Similarity NPC263455
0.774 Intermediate Similarity NPC114974
0.7709 Intermediate Similarity NPC135950
0.7702 Intermediate Similarity NPC473878
0.7702 Intermediate Similarity NPC471655
0.7684 Intermediate Similarity NPC469489
0.7654 Intermediate Similarity NPC470679
0.7654 Intermediate Similarity NPC217021
0.7616 Intermediate Similarity NPC284775
0.7607 Intermediate Similarity NPC312860
0.7605 Intermediate Similarity NPC265100
0.76 Intermediate Similarity NPC477003
0.7578 Intermediate Similarity NPC100726
0.756 Intermediate Similarity NPC42372
0.7541 Intermediate Similarity NPC474767
0.753 Intermediate Similarity NPC80681
0.7514 Intermediate Similarity NPC83774
0.75 Intermediate Similarity NPC313823
0.75 Intermediate Similarity NPC274981
0.7486 Intermediate Similarity NPC191415
0.7486 Intermediate Similarity NPC154339
0.7485 Intermediate Similarity NPC273532
0.7473 Intermediate Similarity NPC109922
0.7473 Intermediate Similarity NPC292361
0.7457 Intermediate Similarity NPC476419
0.7444 Intermediate Similarity NPC476460
0.7443 Intermediate Similarity NPC102755
0.7436 Intermediate Similarity NPC291517
0.7429 Intermediate Similarity NPC73994
0.7429 Intermediate Similarity NPC61011
0.7419 Intermediate Similarity NPC330326
0.7414 Intermediate Similarity NPC157583
0.7403 Intermediate Similarity NPC216550
0.7399 Intermediate Similarity NPC293216
0.7381 Intermediate Similarity NPC473706
0.7363 Intermediate Similarity NPC326422
0.7363 Intermediate Similarity NPC267343
0.7346 Intermediate Similarity NPC167400
0.7342 Intermediate Similarity NPC472288
0.7337 Intermediate Similarity NPC167710
0.7337 Intermediate Similarity NPC242116
0.7325 Intermediate Similarity NPC23215
0.731 Intermediate Similarity NPC41717
0.7303 Intermediate Similarity NPC46895
0.7303 Intermediate Similarity NPC207851
0.7289 Intermediate Similarity NPC107287
0.7268 Intermediate Similarity NPC304203
0.7258 Intermediate Similarity NPC284338
0.7251 Intermediate Similarity NPC115232
0.7244 Intermediate Similarity NPC256893
0.7233 Intermediate Similarity NPC114310
0.7232 Intermediate Similarity NPC477042
0.7232 Intermediate Similarity NPC471997
0.7229 Intermediate Similarity NPC472260
0.7209 Intermediate Similarity NPC114637
0.7197 Intermediate Similarity NPC322488
0.7191 Intermediate Similarity NPC470677
0.719 Intermediate Similarity NPC166424
0.719 Intermediate Similarity NPC146373
0.719 Intermediate Similarity NPC245244
0.7184 Intermediate Similarity NPC249614
0.7184 Intermediate Similarity NPC262338
0.7178 Intermediate Similarity NPC230085
0.7178 Intermediate Similarity NPC159630
0.7152 Intermediate Similarity NPC112741
0.7151 Intermediate Similarity NPC106824
0.7143 Intermediate Similarity NPC103119
0.7143 Intermediate Similarity NPC472062
0.7143 Intermediate Similarity NPC472063
0.7143 Intermediate Similarity NPC472069
0.7135 Intermediate Similarity NPC202812
0.7135 Intermediate Similarity NPC317010
0.7127 Intermediate Similarity NPC118084
0.7124 Intermediate Similarity NPC27740
0.7119 Intermediate Similarity NPC237188
0.7112 Intermediate Similarity NPC477044
0.7112 Intermediate Similarity NPC477041
0.7111 Intermediate Similarity NPC467063
0.7108 Intermediate Similarity NPC102664
0.7105 Intermediate Similarity NPC317701
0.7102 Intermediate Similarity NPC469529
0.7091 Intermediate Similarity NPC302159
0.7074 Intermediate Similarity NPC477004
0.7072 Intermediate Similarity NPC311282
0.7052 Intermediate Similarity NPC2414
0.7051 Intermediate Similarity NPC89490
0.7049 Intermediate Similarity NPC209917
0.7049 Intermediate Similarity NPC255909
0.7031 Intermediate Similarity NPC472064
0.7031 Intermediate Similarity NPC472065
0.7027 Intermediate Similarity NPC47190
0.7021 Intermediate Similarity NPC248782
0.7019 Intermediate Similarity NPC65408
0.7017 Intermediate Similarity NPC110158
0.7011 Intermediate Similarity NPC475874
0.701 Intermediate Similarity NPC472070
0.7006 Intermediate Similarity NPC329896
0.7006 Intermediate Similarity NPC475090
0.7006 Intermediate Similarity NPC71236
0.7006 Intermediate Similarity NPC475105
0.7 Intermediate Similarity NPC98864
0.6995 Remote Similarity NPC278434
0.6989 Remote Similarity NPC473821
0.6984 Remote Similarity NPC477045
0.6983 Remote Similarity NPC126709
0.6983 Remote Similarity NPC248041
0.6983 Remote Similarity NPC11126
0.6983 Remote Similarity NPC283219
0.6979 Remote Similarity NPC88115
0.6978 Remote Similarity NPC295158
0.6971 Remote Similarity NPC470894
0.6968 Remote Similarity NPC473814
0.6968 Remote Similarity NPC74153
0.6968 Remote Similarity NPC78767
0.6966 Remote Similarity NPC151635
0.6963 Remote Similarity NPC328596
0.6963 Remote Similarity NPC106757
0.6963 Remote Similarity NPC328318
0.6962 Remote Similarity NPC282398
0.6957 Remote Similarity NPC473628
0.6952 Remote Similarity NPC93390
0.6944 Remote Similarity NPC79777
0.6941 Remote Similarity NPC33229
0.6941 Remote Similarity NPC474236
0.6927 Remote Similarity NPC138562
0.6919 Remote Similarity NPC324091
0.6919 Remote Similarity NPC113812
0.6918 Remote Similarity NPC471322
0.6915 Remote Similarity NPC79356
0.6915 Remote Similarity NPC102592
0.6915 Remote Similarity NPC128244
0.691 Remote Similarity NPC110500
0.691 Remote Similarity NPC203468
0.691 Remote Similarity NPC149155
0.6909 Remote Similarity NPC190296
0.6897 Remote Similarity NPC229893
0.6897 Remote Similarity NPC469813
0.6897 Remote Similarity NPC78375
0.6897 Remote Similarity NPC476446
0.6895 Remote Similarity NPC237414
0.6891 Remote Similarity NPC477043
0.6889 Remote Similarity NPC55772
0.6885 Remote Similarity NPC133003
0.6882 Remote Similarity NPC138370
0.6872 Remote Similarity NPC267885
0.6871 Remote Similarity NPC27802
0.686 Remote Similarity NPC469762
0.6859 Remote Similarity NPC121327
0.6854 Remote Similarity NPC252572
0.6852 Remote Similarity NPC29702
0.6851 Remote Similarity NPC182940
0.6851 Remote Similarity NPC234403
0.6842 Remote Similarity NPC34837
0.6842 Remote Similarity NPC91958
0.6833 Remote Similarity NPC14113
0.6833 Remote Similarity NPC145885
0.6833 Remote Similarity NPC84827
0.6831 Remote Similarity NPC228835
0.6826 Remote Similarity NPC159856
0.6826 Remote Similarity NPC314372
0.6818 Remote Similarity NPC54988
0.6816 Remote Similarity NPC139763
0.6813 Remote Similarity NPC101165
0.6813 Remote Similarity NPC324611
0.6806 Remote Similarity NPC81535
0.6806 Remote Similarity NPC123395
0.6804 Remote Similarity NPC473239
0.6804 Remote Similarity NPC327592
0.6802 Remote Similarity NPC469785
0.6802 Remote Similarity NPC123839
0.6798 Remote Similarity NPC302647
0.6798 Remote Similarity NPC470498
0.6793 Remote Similarity NPC318020
0.6789 Remote Similarity NPC227582
0.6786 Remote Similarity NPC266249
0.6786 Remote Similarity NPC116555
0.678 Remote Similarity NPC78020
0.6774 Remote Similarity NPC182814
0.6772 Remote Similarity NPC294693
0.6772 Remote Similarity NPC195239
0.6772 Remote Similarity NPC471311
0.6772 Remote Similarity NPC471313
0.6772 Remote Similarity NPC157828
0.6772 Remote Similarity NPC20593

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC213914 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
0.8047 Intermediate Similarity NPD1618 Phase 2
0.8025 Intermediate Similarity NPD1270 Approved
0.7941 Intermediate Similarity NPD2479 Phase 3
0.7941 Intermediate Similarity NPD2481 Approved
0.7778 Intermediate Similarity NPD272 Approved
0.7763 Intermediate Similarity NPD1627 Clinical (unspecified phase)
0.7669 Intermediate Similarity NPD2061 Approved
0.7643 Intermediate Similarity NPD9599 Approved
0.76 Intermediate Similarity NPD1096 Discontinued
0.7529 Intermediate Similarity NPD1291 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD1783 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD175 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD9100 Approved
0.7358 Intermediate Similarity NPD569 Clinical (unspecified phase)
0.7346 Intermediate Similarity NPD9075 Approved
0.7346 Intermediate Similarity NPD9074 Approved
0.7333 Intermediate Similarity NPD5965 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD4051 Discontinued
0.7312 Intermediate Similarity NPD107 Approved
0.7302 Intermediate Similarity NPD7289 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD4883 Approved
0.7292 Intermediate Similarity NPD4614 Clinical (unspecified phase)
0.7284 Intermediate Similarity NPD751 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD460 Discontinued
0.7229 Intermediate Similarity NPD9343 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD269 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD180 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD820 Phase 3
0.7152 Intermediate Similarity NPD9271 Approved
0.7119 Intermediate Similarity NPD2753 Discontinued
0.7117 Intermediate Similarity NPD1427 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD2121 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD4736 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD992 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD991 Phase 2
0.7097 Intermediate Similarity NPD4848 Phase 1
0.7095 Intermediate Similarity NPD4011 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD3583 Phase 2
0.7088 Intermediate Similarity NPD4988 Discontinued
0.7081 Intermediate Similarity NPD1380 Discovery
0.7081 Intermediate Similarity NPD2896 Discontinued
0.7081 Intermediate Similarity NPD1173 Approved
0.7069 Intermediate Similarity NPD1343 Approved
0.7065 Intermediate Similarity NPD2336 Approved
0.7062 Intermediate Similarity NPD3238 Discontinued
0.7052 Intermediate Similarity NPD1568 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD8248 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD9726 Discontinued
0.7024 Intermediate Similarity NPD510 Phase 1
0.7019 Intermediate Similarity NPD200 Phase 2
0.7019 Intermediate Similarity NPD201 Phase 2
0.7018 Intermediate Similarity NPD2213 Approved
0.7018 Intermediate Similarity NPD2214 Approved
0.7017 Intermediate Similarity NPD3607 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD4304 Discovery
0.7011 Intermediate Similarity NPD4174 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3178 Discontinued
0.6994 Remote Similarity NPD5088 Discontinued
0.6977 Remote Similarity NPD2511 Approved
0.6971 Remote Similarity NPD1292 Clinical (unspecified phase)
0.6952 Remote Similarity NPD5855 Phase 3
0.6952 Remote Similarity NPD5853 Phase 3
0.6951 Remote Similarity NPD1382 Phase 2
0.6951 Remote Similarity NPD1383 Phase 3
0.6941 Remote Similarity NPD2809 Approved
0.694 Remote Similarity NPD5820 Clinical (unspecified phase)
0.6935 Remote Similarity NPD4376 Phase 3
0.6923 Remote Similarity NPD7564 Discontinued
0.6923 Remote Similarity NPD3569 Discontinued
0.6915 Remote Similarity NPD2307 Discontinued
0.6914 Remote Similarity NPD6446 Discontinued
0.6914 Remote Similarity NPD4643 Clinical (unspecified phase)
0.6914 Remote Similarity NPD5611 Phase 2
0.691 Remote Similarity NPD482 Approved
0.691 Remote Similarity NPD5322 Clinical (unspecified phase)
0.6903 Remote Similarity NPD9357 Approved
0.6902 Remote Similarity NPD2770 Discontinued
0.6895 Remote Similarity NPD7049 Clinical (unspecified phase)
0.6893 Remote Similarity NPD485 Clinical (unspecified phase)
0.6891 Remote Similarity NPD4299 Phase 1
0.6887 Remote Similarity NPD9396 Approved
0.6887 Remote Similarity NPD9392 Approved
0.6884 Remote Similarity NPD3394 Approved
0.6884 Remote Similarity NPD3393 Approved
0.6884 Remote Similarity NPD3389 Approved
0.6875 Remote Similarity NPD5069 Clinical (unspecified phase)
0.6872 Remote Similarity NPD2509 Approved
0.6872 Remote Similarity NPD749 Clinical (unspecified phase)
0.6872 Remote Similarity NPD2510 Approved
0.6871 Remote Similarity NPD203 Clinical (unspecified phase)
0.6869 Remote Similarity NPD5888 Phase 2
0.6868 Remote Similarity NPD5728 Clinical (unspecified phase)
0.6854 Remote Similarity NPD4524 Discontinued
0.6854 Remote Similarity NPD750 Phase 2
0.6851 Remote Similarity NPD1643 Phase 3
0.6851 Remote Similarity NPD3927 Phase 2
0.6848 Remote Similarity NPD4426 Clinical (unspecified phase)
0.6839 Remote Similarity NPD5400 Approved
0.6823 Remote Similarity NPD5017 Discontinued
0.6821 Remote Similarity NPD3371 Approved
0.6816 Remote Similarity NPD6578 Clinical (unspecified phase)
0.6815 Remote Similarity NPD9583 Approved
0.6811 Remote Similarity NPD3246 Discontinued
0.6804 Remote Similarity NPD3947 Discontinued
0.6798 Remote Similarity NPD3117 Approved
0.6798 Remote Similarity NPD3116 Approved
0.6796 Remote Similarity NPD8304 Clinical (unspecified phase)
0.6791 Remote Similarity NPD6180 Clinical (unspecified phase)
0.6772 Remote Similarity NPD2118 Approved
0.6772 Remote Similarity NPD1598 Discontinued
0.6772 Remote Similarity NPD2119 Approved
0.6755 Remote Similarity NPD7098 Clinical (unspecified phase)
0.6747 Remote Similarity NPD1722 Approved
0.6747 Remote Similarity NPD4805 Approved
0.6746 Remote Similarity NPD4702 Approved
0.6746 Remote Similarity NPD4703 Approved
0.6742 Remote Similarity NPD1573 Approved
0.6742 Remote Similarity NPD1575 Approved
0.6739 Remote Similarity NPD2091 Phase 2
0.6739 Remote Similarity NPD2096 Phase 2
0.6737 Remote Similarity NPD6226 Phase 3
0.6735 Remote Similarity NPD3411 Phase 2
0.6735 Remote Similarity NPD3410 Approved
0.6727 Remote Similarity NPD768 Clinical (unspecified phase)
0.6719 Remote Similarity NPD5854 Approved
0.6718 Remote Similarity NPD3247 Clinical (unspecified phase)
0.6718 Remote Similarity NPD944 Approved
0.6717 Remote Similarity NPD6204 Clinical (unspecified phase)
0.671 Remote Similarity NPD271 Approved
0.671 Remote Similarity NPD268 Approved
0.671 Remote Similarity NPD270 Clinical (unspecified phase)
0.6708 Remote Similarity NPD803 Phase 1
0.6707 Remote Similarity NPD2007 Clinical (unspecified phase)
0.6707 Remote Similarity NPD9506 Approved
0.6705 Remote Similarity NPD1631 Approved
0.67 Remote Similarity NPD3794 Approved
0.67 Remote Similarity NPD3795 Approved
0.6687 Remote Similarity NPD1395 Clinical (unspecified phase)
0.6686 Remote Similarity NPD6454 Clinical (unspecified phase)
0.6685 Remote Similarity NPD2095 Phase 2
0.6685 Remote Similarity NPD2094 Phase 2
0.6685 Remote Similarity NPD2092 Phase 2
0.6684 Remote Similarity NPD7618 Phase 3
0.6684 Remote Similarity NPD7024 Clinical (unspecified phase)
0.6684 Remote Similarity NPD7619 Phase 3
0.6684 Remote Similarity NPD5975 Clinical (unspecified phase)
0.6684 Remote Similarity NPD6068 Discontinued
0.6684 Remote Similarity NPD7010 Phase 3
0.6667 Remote Similarity NPD8242 Clinical (unspecified phase)
0.6667 Remote Similarity NPD9080 Approved
0.6667 Remote Similarity NPD6665 Discontinued
0.6667 Remote Similarity NPD9510 Approved
0.6667 Remote Similarity NPD3968 Approved
0.6667 Remote Similarity NPD7026 Phase 2
0.665 Remote Similarity NPD6173 Approved
0.665 Remote Similarity NPD4913 Phase 3
0.6649 Remote Similarity NPD1905 Clinical (unspecified phase)
0.6649 Remote Similarity NPD2290 Phase 3
0.6649 Remote Similarity NPD7817 Phase 1
0.6649 Remote Similarity NPD7727 Phase 2
0.6649 Remote Similarity NPD2289 Phase 3
0.6649 Remote Similarity NPD721 Approved
0.6648 Remote Similarity NPD6771 Discontinued
0.6648 Remote Similarity NPD8026 Phase 1
0.6646 Remote Similarity NPD9206 Approved
0.6646 Remote Similarity NPD198 Clinical (unspecified phase)
0.6646 Remote Similarity NPD9207 Approved
0.6634 Remote Similarity NPD4851 Clinical (unspecified phase)
0.6633 Remote Similarity NPD8115 Approved
0.6633 Remote Similarity NPD8114 Approved
0.6632 Remote Similarity NPD2405 Phase 3
0.6629 Remote Similarity NPD1630 Approved
0.6627 Remote Similarity NPD4804 Approved
0.6615 Remote Similarity NPD7187 Phase 2
0.6609 Remote Similarity NPD276 Clinical (unspecified phase)
0.6609 Remote Similarity NPD2748 Clinical (unspecified phase)
0.6605 Remote Similarity NPD1527 Phase 2
0.66 Remote Similarity NPD5475 Discontinued
0.6599 Remote Similarity NPD2008 Discontinued
0.6599 Remote Similarity NPD3967 Approved
0.6596 Remote Similarity NPD7175 Phase 1
0.6595 Remote Similarity NPD7401 Clinical (unspecified phase)
0.6584 Remote Similarity NPD6481 Clinical (unspecified phase)
0.6583 Remote Similarity NPD5510 Approved
0.6583 Remote Similarity NPD1600 Suspended
0.6579 Remote Similarity NPD4922 Phase 2
0.6576 Remote Similarity NPD5473 Discontinued
0.6571 Remote Similarity NPD2582 Approved
0.6571 Remote Similarity NPD2581 Approved
0.6566 Remote Similarity NPD3840 Phase 2
0.6566 Remote Similarity NPD3839 Phase 2
0.6564 Remote Similarity NPD7903 Clinical (unspecified phase)
0.6562 Remote Similarity NPD1851 Clinical (unspecified phase)
0.6562 Remote Similarity NPD9284 Approved
0.6561 Remote Similarity NPD5686 Approved
0.6561 Remote Similarity NPD5685 Approved
0.6559 Remote Similarity NPD6178 Phase 3
0.6557 Remote Similarity NPD3506 Approved
0.6557 Remote Similarity NPD3505 Approved
0.655 Remote Similarity NPD7998 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   2598
ChEMBL   CHEMBL447876
ZINC  

Physicochemical Properties

Molecular Weight:  218.07
ALogP:  -1.4708
MLogP:  2.12
XLogP:  -0.167
# Rotatable Bonds:  4
Polar Surface Area:  79.29
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  16

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs