Natural Product: NPC470019

Natural Product ID:  NPC470019
Common Name:   n.a.
IUPAC Name:  
Synonyms:   5-Methoxy-2,3-dihydro-1-azabenzanthrone
Molecular Formula:   C17H13NO2
Standard InCHIKey:  SMSXFIWLWPHHRL-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C17H13NO2/c1-20-11-8-10-6-7-18-16-12-4-2-3-5-13(12)17(19)14(9-11)15(10)16/h2-5,8-9H,6-7H2,1H3
Canonical SMILES:  COc1cc2CCN=C3c2c(c1)C(=O)c1c3cccc1
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
NPO21789 Sciadotenia toxifera Species Menispermaceae Eukaryota PMID[20961068]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT171 Cell Line MRC5 Homo sapiens IC50 = 81300 nM 16124779
NPT1506 Cell Line SK-MES-1 Homo sapiens IC50 = 18200 nM 23819871
NPT2 Others Unspecified Ratio IC50 = 4.7 22260257
NPT196 Cell Line AGS Homo sapiens IC50 = 6800 nM 22260257
NPT2 Others Unspecified IC50 > 2090 nM 17582775
NPT1505 Cell Line J82 Homo sapiens IC50 > 2090 nM 17582775
NPT582 Individual Protein Monoamine oxidase B Homo sapiens IC50 > 100000 nM 18494463
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 2500 nM 23266177
NPT1506 Cell Line SK-MES-1 Homo sapiens IC50 > 2090 nM 1593278
NPT196 Cell Line AGS Homo sapiens IC50 > 2090 nM 7853002
NPT171 Cell Line MRC5 Homo sapiens IC50 = 85200 nM 15165148
NPT2 Others Unspecified Ratio IC50 = 32.4 21341671
NPT2 Others Unspecified Ratio IC50 = 13 PubChem BioAssay data set
NPT1505 Cell Line J82 Homo sapiens IC50 = 3000 nM 19075048
NPT2 Others Unspecified Ratio IC50 > 7143 26331426
NPT2 Others Unspecified Ratio IC50 = 28 19711986
NPT261 Individual Protein Monoamine oxidase A Homo sapiens IC50 = 14 nM 3404149
NPT2 Others Unspecified IC50 > 2090 nM 15332839

  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 NPC470019 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
0.8926 High Similarity NPC58661
0.8649 High Similarity NPC290404
0.8282 Intermediate Similarity NPC207721
0.8267 Intermediate Similarity NPC80928
0.8214 Intermediate Similarity NPC474009
0.8169 Intermediate Similarity NPC177925
0.8112 Intermediate Similarity NPC428300
0.8108 Intermediate Similarity NPC471316
0.8052 Intermediate Similarity NPC161544
0.8035 Intermediate Similarity NPC470023
0.7989 Intermediate Similarity NPC470021
0.7949 Intermediate Similarity NPC478189
0.7939 Intermediate Similarity NPC198075
0.7877 Intermediate Similarity NPC57552
0.7838 Intermediate Similarity NPC183103
0.7834 Intermediate Similarity NPC276665
0.7834 Intermediate Similarity NPC265473
0.7815 Intermediate Similarity NPC186647
0.78 Intermediate Similarity NPC89504
0.78 Intermediate Similarity NPC95485
0.78 Intermediate Similarity NPC88065
0.7785 Intermediate Similarity NPC470406
0.777 Intermediate Similarity NPC164295
0.7763 Intermediate Similarity NPC33011
0.7733 Intermediate Similarity NPC1249
0.7671 Intermediate Similarity NPC474737
0.7671 Intermediate Similarity NPC474264
0.7651 Intermediate Similarity NPC239134
0.7597 Intermediate Similarity NPC223336
0.7597 Intermediate Similarity NPC470407
0.7595 Intermediate Similarity NPC153644
0.7546 Intermediate Similarity NPC195766
0.7546 Intermediate Similarity NPC206736
0.7516 Intermediate Similarity NPC472840
0.7516 Intermediate Similarity NPC53016
0.7484 Intermediate Similarity NPC1268
0.7483 Intermediate Similarity NPC474340
0.7468 Intermediate Similarity NPC472836
0.7468 Intermediate Similarity NPC308006
0.7466 Intermediate Similarity NPC182646
0.7465 Intermediate Similarity NPC469954
0.7452 Intermediate Similarity NPC169214
0.7452 Intermediate Similarity NPC192597
0.7452 Intermediate Similarity NPC86455
0.7452 Intermediate Similarity NPC229218
0.7452 Intermediate Similarity NPC137920
0.7452 Intermediate Similarity NPC69755
0.7452 Intermediate Similarity NPC141817
0.7452 Intermediate Similarity NPC125134
0.7452 Intermediate Similarity NPC176030
0.7421 Intermediate Similarity NPC478019
0.7421 Intermediate Similarity NPC49282
0.7417 Intermediate Similarity NPC301717
0.7415 Intermediate Similarity NPC30216
0.7415 Intermediate Similarity NPC75432
0.7412 Intermediate Similarity NPC227683
0.741 Intermediate Similarity NPC153631
0.7405 Intermediate Similarity NPC167663
0.7403 Intermediate Similarity NPC249899
0.7403 Intermediate Similarity NPC141934
0.7403 Intermediate Similarity NPC471670
0.7389 Intermediate Similarity NPC124365
0.7368 Intermediate Similarity NPC266425
0.7361 Intermediate Similarity NPC43275
0.7351 Intermediate Similarity NPC476570
0.7338 Intermediate Similarity NPC22644
0.7333 Intermediate Similarity NPC125887
0.7329 Intermediate Similarity NPC478018
0.7308 Intermediate Similarity NPC233707
0.7305 Intermediate Similarity NPC71205
0.7303 Intermediate Similarity NPC279596
0.7297 Intermediate Similarity NPC56332
0.7297 Intermediate Similarity NPC111088
0.7287 Intermediate Similarity NPC470020
0.7284 Intermediate Similarity NPC472839
0.7284 Intermediate Similarity NPC472841
0.7278 Intermediate Similarity NPC149780
0.7273 Intermediate Similarity NPC274876
0.7267 Intermediate Similarity NPC298884
0.7267 Intermediate Similarity NPC45537
0.7261 Intermediate Similarity NPC470925
0.7255 Intermediate Similarity NPC325568
0.725 Intermediate Similarity NPC91694
0.725 Intermediate Similarity NPC300603
0.725 Intermediate Similarity NPC290038
0.7244 Intermediate Similarity NPC290601
0.7244 Intermediate Similarity NPC284184
0.7244 Intermediate Similarity NPC301341
0.7241 Intermediate Similarity NPC201284
0.7239 Intermediate Similarity NPC476568
0.7239 Intermediate Similarity NPC300983
0.7222 Intermediate Similarity NPC126767
0.7222 Intermediate Similarity NPC190648
0.7222 Intermediate Similarity NPC478163
0.7222 Intermediate Similarity NPC56433
0.7222 Intermediate Similarity NPC118027
0.7222 Intermediate Similarity NPC289042
0.7222 Intermediate Similarity NPC312929
0.7222 Intermediate Similarity NPC245584
0.7215 Intermediate Similarity NPC138438
0.7215 Intermediate Similarity NPC908
0.7211 Intermediate Similarity NPC120545
0.7205 Intermediate Similarity NPC160777
0.7205 Intermediate Similarity NPC73416
0.72 Intermediate Similarity NPC301713
0.7197 Intermediate Similarity NPC470962
0.7197 Intermediate Similarity NPC475104
0.7195 Intermediate Similarity NPC290954
0.7195 Intermediate Similarity NPC58310
0.7195 Intermediate Similarity NPC18614
0.7195 Intermediate Similarity NPC295977
0.7195 Intermediate Similarity NPC255641
0.7188 Intermediate Similarity NPC3732
0.7178 Intermediate Similarity NPC95526
0.7178 Intermediate Similarity NPC472056
0.7178 Intermediate Similarity NPC474107
0.7178 Intermediate Similarity NPC127827
0.7172 Intermediate Similarity NPC171023
0.7167 Intermediate Similarity NPC472358
0.7163 Intermediate Similarity NPC23332
0.7162 Intermediate Similarity NPC471315
0.7162 Intermediate Similarity NPC471314
0.7162 Intermediate Similarity NPC91478
0.7161 Intermediate Similarity NPC209858
0.7161 Intermediate Similarity NPC324117
0.716 Intermediate Similarity NPC39361
0.716 Intermediate Similarity NPC476569
0.716 Intermediate Similarity NPC300540
0.7152 Intermediate Similarity NPC306011
0.7152 Intermediate Similarity NPC472838
0.7152 Intermediate Similarity NPC302783
0.7152 Intermediate Similarity NPC473201
0.7152 Intermediate Similarity NPC476191
0.7152 Intermediate Similarity NPC118427
0.7152 Intermediate Similarity NPC144283
0.7143 Intermediate Similarity NPC475780
0.7143 Intermediate Similarity NPC229787
0.7143 Intermediate Similarity NPC19896
0.7143 Intermediate Similarity NPC225245
0.7143 Intermediate Similarity NPC189650
0.7143 Intermediate Similarity NPC196941
0.7143 Intermediate Similarity NPC309169
0.7135 Intermediate Similarity NPC472533
0.7134 Intermediate Similarity NPC261322
0.7134 Intermediate Similarity NPC119669
0.7134 Intermediate Similarity NPC52475
0.7134 Intermediate Similarity NPC80370
0.7133 Intermediate Similarity NPC232387
0.7133 Intermediate Similarity NPC2771
0.7126 Intermediate Similarity NPC93653
0.7126 Intermediate Similarity NPC66508
0.7126 Intermediate Similarity NPC226656
0.7124 Intermediate Similarity NPC27659
0.7124 Intermediate Similarity NPC245395
0.7115 Intermediate Similarity NPC22222
0.7115 Intermediate Similarity NPC281513
0.7114 Intermediate Similarity NPC474691
0.711 Intermediate Similarity NPC67978
0.711 Intermediate Similarity NPC303581
0.7108 Intermediate Similarity NPC164912
0.7107 Intermediate Similarity NPC109007
0.7102 Intermediate Similarity NPC99723
0.7095 Intermediate Similarity NPC124626
0.7093 Intermediate Similarity NPC86469
0.7092 Intermediate Similarity NPC183648
0.7091 Intermediate Similarity NPC147735
0.7091 Intermediate Similarity NPC474660
0.7091 Intermediate Similarity NPC470568
0.7091 Intermediate Similarity NPC294646
0.7086 Intermediate Similarity NPC222524
0.7083 Intermediate Similarity NPC279605
0.7083 Intermediate Similarity NPC276231
0.7083 Intermediate Similarity NPC216816
0.7081 Intermediate Similarity NPC9373
0.7081 Intermediate Similarity NPC277369
0.7081 Intermediate Similarity NPC66593
0.7081 Intermediate Similarity NPC215451
0.7078 Intermediate Similarity NPC205360
0.7078 Intermediate Similarity NPC477412
0.7078 Intermediate Similarity NPC244699
0.7073 Intermediate Similarity NPC24193
0.707 Intermediate Similarity NPC232996
0.7069 Intermediate Similarity NPC474051
0.7067 Intermediate Similarity NPC164014
0.7066 Intermediate Similarity NPC214632
0.7066 Intermediate Similarity NPC133817
0.7066 Intermediate Similarity NPC208806
0.7066 Intermediate Similarity NPC476443
0.7066 Intermediate Similarity NPC329844
0.7059 Intermediate Similarity NPC99731
0.7051 Intermediate Similarity NPC311339
0.7048 Intermediate Similarity NPC78505
0.7048 Intermediate Similarity NPC470569
0.7048 Intermediate Similarity NPC230848
0.7048 Intermediate Similarity NPC118332
0.7048 Intermediate Similarity NPC474414
0.7042 Intermediate Similarity NPC54626
0.7039 Intermediate Similarity NPC470841
0.7037 Intermediate Similarity NPC193703
0.7037 Intermediate Similarity NPC471451

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470019 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
0.7791 Intermediate Similarity NPD7291 Discontinued
0.7727 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7708 Intermediate Similarity NPD1669 Approved
0.7654 Intermediate Similarity NPD5616 Clinical (unspecified phase)
0.7606 Intermediate Similarity NPD1651 Approved
0.7546 Intermediate Similarity NPD5977 Approved
0.7546 Intermediate Similarity NPD5978 Approved
0.7534 Intermediate Similarity NPD1876 Approved
0.7515 Intermediate Similarity NPD6862 Phase 2
0.75 Intermediate Similarity NPD6894 Phase 1
0.7484 Intermediate Similarity NPD3655 Clinical (unspecified phase)
0.7448 Intermediate Similarity NPD1281 Approved
0.7397 Intermediate Similarity NPD3972 Approved
0.7362 Intermediate Similarity NPD6873 Phase 2
0.7301 Intermediate Similarity NPD6502 Phase 2
0.7297 Intermediate Similarity NPD1283 Approved
0.7283 Intermediate Similarity NPD3823 Discontinued
0.7278 Intermediate Similarity NPD7003 Approved
0.7278 Intermediate Similarity NPD6331 Phase 2
0.7273 Intermediate Similarity NPD4579 Clinical (unspecified phase)
0.7261 Intermediate Similarity NPD7596 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD3140 Approved
0.7255 Intermediate Similarity NPD3109 Approved
0.7255 Intermediate Similarity NPD3142 Approved
0.7255 Intermediate Similarity NPD3110 Approved
0.7239 Intermediate Similarity NPD4005 Discontinued
0.7237 Intermediate Similarity NPD6812 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD2379 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD3873 Phase 3
0.7222 Intermediate Similarity NPD3869 Phase 3
0.7209 Intermediate Similarity NPD7177 Discontinued
0.7197 Intermediate Similarity NPD2346 Discontinued
0.716 Intermediate Similarity NPD6273 Approved
0.7152 Intermediate Similarity NPD6386 Approved
0.7152 Intermediate Similarity NPD6385 Approved
0.7143 Intermediate Similarity NPD2979 Phase 3
0.7134 Intermediate Similarity NPD4476 Approved
0.7134 Intermediate Similarity NPD4477 Approved
0.7125 Intermediate Similarity NPD3295 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD7427 Discontinued
0.7108 Intermediate Similarity NPD6844 Discontinued
0.7108 Intermediate Similarity NPD7577 Discontinued
0.7086 Intermediate Similarity NPD2798 Approved
0.7083 Intermediate Similarity NPD4947 Clinical (unspecified phase)
0.7076 Intermediate Similarity NPD6747 Phase 1
0.707 Intermediate Similarity NPD3748 Approved
0.707 Intermediate Similarity NPD4108 Discontinued
0.7051 Intermediate Similarity NPD4097 Suspended
0.703 Intermediate Similarity NPD2651 Approved
0.703 Intermediate Similarity NPD2649 Approved
0.7013 Intermediate Similarity NPD5109 Approved
0.7013 Intermediate Similarity NPD5111 Phase 2
0.7013 Intermediate Similarity NPD5110 Phase 2
0.7012 Intermediate Similarity NPD3640 Phase 3
0.7012 Intermediate Similarity NPD6662 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD3639 Approved
0.7012 Intermediate Similarity NPD3641 Approved
0.7011 Intermediate Similarity NPD2822 Clinical (unspecified phase)
0.6968 Remote Similarity NPD8032 Phase 2
0.6966 Remote Similarity NPD7546 Discontinued
0.6962 Remote Similarity NPD2799 Discontinued
0.6959 Remote Similarity NPD6746 Phase 2
0.6946 Remote Similarity NPD7109 Clinical (unspecified phase)
0.6946 Remote Similarity NPD7193 Clinical (unspecified phase)
0.6946 Remote Similarity NPD7110 Phase 1
0.6946 Remote Similarity NPD5890 Approved
0.6946 Remote Similarity NPD5889 Approved
0.6944 Remote Similarity NPD1241 Discontinued
0.6943 Remote Similarity NPD2157 Approved
0.6941 Remote Similarity NPD1307 Phase 2
0.6941 Remote Similarity NPD1309 Phase 2
0.6935 Remote Similarity NPD7565 Approved
0.6928 Remote Similarity NPD3226 Approved
0.6918 Remote Similarity NPD2935 Discontinued
0.6918 Remote Similarity NPD2438 Suspended
0.6915 Remote Similarity NPD6823 Phase 2
0.6909 Remote Similarity NPD7131 Phase 3
0.6909 Remote Similarity NPD5586 Clinical (unspecified phase)
0.6906 Remote Similarity NPD7693 Approved
0.6905 Remote Similarity NPD3812 Clinical (unspecified phase)
0.6905 Remote Similarity NPD7248 Discontinued
0.6903 Remote Similarity NPD2313 Discontinued
0.6892 Remote Similarity NPD5691 Approved
0.6886 Remote Similarity NPD6585 Discontinued
0.6886 Remote Similarity NPD6876 Approved
0.6886 Remote Similarity NPD6875 Approved
0.6885 Remote Similarity NPD3819 Phase 2
0.6875 Remote Similarity NPD1471 Phase 3
0.6872 Remote Similarity NPD6146 Clinical (unspecified phase)
0.6872 Remote Similarity NPD3534 Clinical (unspecified phase)
0.6867 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6867 Remote Similarity NPD6287 Discontinued
0.6857 Remote Similarity NPD5602 Clinical (unspecified phase)
0.6852 Remote Similarity NPD3750 Approved
0.6848 Remote Similarity NPD5261 Clinical (unspecified phase)
0.6848 Remote Similarity NPD1975 Clinical (unspecified phase)
0.6846 Remote Similarity NPD2667 Approved
0.6846 Remote Similarity NPD2668 Approved
0.6846 Remote Similarity NPD4626 Approved
0.6842 Remote Similarity NPD8005 Clinical (unspecified phase)
0.6839 Remote Similarity NPD5242 Approved
0.6839 Remote Similarity NPD8051 Clinical (unspecified phase)
0.6839 Remote Similarity NPD1024 Discontinued
0.6836 Remote Similarity NPD5441 Clinical (unspecified phase)
0.6836 Remote Similarity NPD2325 Approved
0.6833 Remote Similarity NPD6556 Clinical (unspecified phase)
0.6832 Remote Similarity NPD4664 Clinical (unspecified phase)
0.6826 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6826 Remote Similarity NPD7458 Discontinued
0.6824 Remote Similarity NPD5967 Approved
0.6821 Remote Similarity NPD2821 Approved
0.6818 Remote Similarity NPD7493 Clinical (unspecified phase)
0.6818 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6816 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6813 Remote Similarity NPD2531 Phase 2
0.6813 Remote Similarity NPD2796 Approved
0.6809 Remote Similarity NPD3290 Approved
0.6809 Remote Similarity NPD3289 Phase 3
0.6809 Remote Similarity NPD8164 Clinical (unspecified phase)
0.6807 Remote Similarity NPD4727 Phase 1
0.6806 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6805 Remote Similarity NPD6279 Approved
0.6805 Remote Similarity NPD6280 Approved
0.6805 Remote Similarity NPD7317 Phase 3
0.6798 Remote Similarity NPD6293 Clinical (unspecified phase)
0.6797 Remote Similarity NPD1470 Approved
0.6795 Remote Similarity NPD7294 Phase 1
0.6795 Remote Similarity NPD3764 Approved
0.6792 Remote Similarity NPD743 Approved
0.6792 Remote Similarity NPD5688 Approved
0.6792 Remote Similarity NPD5689 Approved
0.679 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6786 Remote Similarity NPD2592 Discontinued
0.6782 Remote Similarity NPD7315 Approved
0.678 Remote Similarity NPD3965 Phase 1
0.6776 Remote Similarity NPD3676 Clinical (unspecified phase)
0.6774 Remote Similarity NPD6834 Approved
0.6772 Remote Similarity NPD4618 Approved
0.6772 Remote Similarity NPD4622 Approved
0.6769 Remote Similarity NPD7225 Discontinued
0.6765 Remote Similarity NPD7819 Suspended
0.6763 Remote Similarity NPD7201 Clinical (unspecified phase)
0.676 Remote Similarity NPD7039 Approved
0.676 Remote Similarity NPD7038 Approved
0.6757 Remote Similarity NPD5536 Phase 2
0.6757 Remote Similarity NPD6181 Discontinued
0.6755 Remote Similarity NPD1201 Approved
0.6753 Remote Similarity NPD7905 Discontinued
0.6753 Remote Similarity NPD4997 Clinical (unspecified phase)
0.6752 Remote Similarity NPD4475 Approved
0.6752 Remote Similarity NPD4474 Approved
0.6752 Remote Similarity NPD7477 Discontinued
0.6752 Remote Similarity NPD7713 Phase 3
0.6751 Remote Similarity NPD8149 Discontinued
0.6746 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6746 Remote Similarity NPD7438 Suspended
0.674 Remote Similarity NPD6618 Phase 2
0.674 Remote Similarity NPD6021 Clinical (unspecified phase)
0.6739 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6735 Remote Similarity NPD709 Approved
0.6733 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6732 Remote Similarity NPD2922 Phase 1
0.6732 Remote Similarity NPD7258 Clinical (unspecified phase)
0.6728 Remote Similarity NPD7037 Approved
0.6728 Remote Similarity NPD2897 Discontinued
0.6726 Remote Similarity NPD3455 Phase 2
0.6725 Remote Similarity NPD7318 Phase 3
0.6722 Remote Similarity NPD7190 Clinical (unspecified phase)
0.672 Remote Similarity NPD4413 Clinical (unspecified phase)
0.6711 Remote Similarity NPD2232 Approved
0.6711 Remote Similarity NPD2233 Approved
0.6711 Remote Similarity NPD2230 Approved
0.671 Remote Similarity NPD1712 Approved
0.6709 Remote Similarity NPD4307 Phase 2
0.6707 Remote Similarity NPD5084 Clinical (unspecified phase)
0.6707 Remote Similarity NPD3692 Discontinued
0.6707 Remote Similarity NPD5241 Discontinued
0.6704 Remote Similarity NPD6996 Clinical (unspecified phase)
0.6701 Remote Similarity NPD8151 Discontinued
0.6688 Remote Similarity NPD1039 Discontinued
0.6688 Remote Similarity NPD5718 Phase 2
0.6687 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6687 Remote Similarity NPD4584 Approved
0.6686 Remote Similarity NPD1337 Clinical (unspecified phase)
0.6685 Remote Similarity NPD5896 Clinical (unspecified phase)
0.6685 Remote Similarity NPD2971 Approved
0.6685 Remote Similarity NPD2968 Approved
0.6683 Remote Similarity NPD7395 Discontinued
0.6667 Remote Similarity NPD6720 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3025 Approved
0.6667 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6667 Remote Similarity NPD710 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2614 Approved
0.6667 Remote Similarity NPD4093 Discontinued
0.6667 Remote Similarity NPD2344 Approved
0.6667 Remote Similarity NPD8285 Discontinued
0.6667 Remote Similarity NPD3024 Approved
0.665 Remote Similarity NPD4356 Discontinued
0.6649 Remote Similarity NPD5848 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   14364356
ChEMBL   CHEMBL1651054
ZINC  

Physicochemical Properties

Molecular Weight:  263.09
ALogP:  -0.3782
MLogP:  3
XLogP:  3.253
# Rotatable Bonds:  2
Polar Surface Area:  38.66
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  20

Download Data

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