Natural Product: NPC7018

Natural Product ID:  NPC7018
Common Name:   6-Methyl-7,8-Dihydro-5H-[1,3]Dioxolo[4,5-G]Isoquinoline
IUPAC Name:   6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Synonyms:  
Molecular Formula:   C11H13NO2
Standard InCHIKey:  XNZFFRJWTVYMBF-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C11H13NO2/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-5H,2-3,6-7H2,1H3
Canonical SMILES:  CN1CCc2c(C1)cc1c(c2)OCO1
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
NPO29441 Eremophila oppositifolia Species Scrophulariaceae Eukaryota UNPD*
NPO29490 Taxillus yadoriki Species Loranthaceae Eukaryota UNPD*
NPO28926 Corydalis tuberosa Species Papaveraceae Eukaryota UNPD*
NPO29206 Lycopodium chinense Species Lycopodiaceae Eukaryota UNPD*
NPO29246 Ixeris repens Species Asteraceae Eukaryota UNPD*
NPO29086 Dovyalis hebecarpa Species Salicaceae Eukaryota UNPD*
NPO17311 Penicillium vulpinum Species Aspergillaceae Eukaryota UNPD*
NPO29347 Hydnum aurantiacum Species Hydnaceae Eukaryota UNPD*
NPO29263 Tylopilus plumbeoviolaceus Species Boletaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT11 Individual Protein Guanine nucleotide-binding protein G(s), subunit alpha Homo sapiens Potency 1000 nM PubChem BioAssay data set
NPT412 Protein Complex Neuronal acetylcholine receptor; alpha4/beta2 Rattus norvegicus Ki = 1700 nM 24187998
NPT418 Protein Complex Neuronal acetylcholine receptor; alpha4/beta4 Rattus norvegicus Ki = 50000 nM 24187998
NPT417 Protein Complex Neuronal acetylcholine receptor; alpha3/beta4 Rattus norvegicus Ki = 300000 nM 24187998
NPT2 Others Unspecified Ki = 500000 nM 24187998
NPT964 Protein Complex Nicotinic acetylcholine receptor alpha-4/beta-2 Mus musculus IC50 = 2600 nM 24187998
NPT417 Protein Complex Neuronal acetylcholine receptor; alpha3/beta4 Rattus norvegicus IC50 = 300000 nM 24187998

  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 NPC7018 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
0.938 High Similarity NPC160193
0.9209 High Similarity NPC59907
0.9209 High Similarity NPC37144
0.9209 High Similarity NPC475959
0.9104 High Similarity NPC416184
0.9023 High Similarity NPC160692
0.8963 High Similarity NPC131204
0.8963 High Similarity NPC301050
0.8951 High Similarity NPC233029
0.8951 High Similarity NPC148898
0.8951 High Similarity NPC210148
0.8944 High Similarity NPC223125
0.8828 High Similarity NPC216459
0.8828 High Similarity NPC41178
0.8828 High Similarity NPC78733
0.8828 High Similarity NPC93593
0.8828 High Similarity NPC138487
0.8819 High Similarity NPC223124
0.8768 High Similarity NPC314682
0.8767 High Similarity NPC146288
0.8759 High Similarity NPC253429
0.8705 High Similarity NPC474915
0.8705 High Similarity NPC213206
0.8705 High Similarity NPC328750
0.8705 High Similarity NPC188163
0.8649 High Similarity NPC106786
0.8649 High Similarity NPC111485
0.8649 High Similarity NPC477080
0.8647 High Similarity NPC172403
0.8639 High Similarity NPC31311
0.8639 High Similarity NPC234392
0.8592 High Similarity NPC130926
0.8591 High Similarity NPC266753
0.8591 High Similarity NPC160298
0.8591 High Similarity NPC306902
0.8591 High Similarity NPC232924
0.8591 High Similarity NPC477559
0.8582 High Similarity NPC136860
0.8582 High Similarity NPC476567
0.8582 High Similarity NPC128019
0.8533 High Similarity NPC24954
0.8477 Intermediate Similarity NPC59567
0.8467 Intermediate Similarity NPC215829
0.8467 Intermediate Similarity NPC97072
0.8462 Intermediate Similarity NPC185838
0.8446 Intermediate Similarity NPC76079
0.8421 Intermediate Similarity NPC302527
0.8421 Intermediate Similarity NPC276944
0.8421 Intermediate Similarity NPC232514
0.8421 Intermediate Similarity NPC225774
0.8421 Intermediate Similarity NPC238530
0.8421 Intermediate Similarity NPC16805
0.8421 Intermediate Similarity NPC167546
0.8421 Intermediate Similarity NPC231198
0.8421 Intermediate Similarity NPC306669
0.8392 Intermediate Similarity NPC294249
0.8366 Intermediate Similarity NPC476432
0.8366 Intermediate Similarity NPC24264
0.8366 Intermediate Similarity NPC219341
0.8357 Intermediate Similarity NPC252107
0.8356 Intermediate Similarity NPC219162
0.8355 Intermediate Similarity NPC320104
0.8345 Intermediate Similarity NPC476151
0.8345 Intermediate Similarity NPC321505
0.8345 Intermediate Similarity NPC106295
0.8345 Intermediate Similarity NPC210437
0.8345 Intermediate Similarity NPC51957
0.8345 Intermediate Similarity NPC179825
0.8345 Intermediate Similarity NPC476144
0.8345 Intermediate Similarity NPC191376
0.8345 Intermediate Similarity NPC16107
0.8333 Intermediate Similarity NPC145304
0.8312 Intermediate Similarity NPC474324
0.8312 Intermediate Similarity NPC57812
0.8312 Intermediate Similarity NPC247389
0.8312 Intermediate Similarity NPC210918
0.8312 Intermediate Similarity NPC298979
0.8312 Intermediate Similarity NPC100566
0.8301 Intermediate Similarity NPC168409
0.8301 Intermediate Similarity NPC247972
0.8299 Intermediate Similarity NPC274026
0.8288 Intermediate Similarity NPC147390
0.8288 Intermediate Similarity NPC476571
0.8288 Intermediate Similarity NPC135538
0.8288 Intermediate Similarity NPC24233
0.8288 Intermediate Similarity NPC246587
0.8288 Intermediate Similarity NPC130941
0.8288 Intermediate Similarity NPC7467
0.8288 Intermediate Similarity NPC428
0.8286 Intermediate Similarity NPC99078
0.8273 Intermediate Similarity NPC167096
0.8258 Intermediate Similarity NPC82533
0.8258 Intermediate Similarity NPC290759
0.8258 Intermediate Similarity NPC158148
0.8258 Intermediate Similarity NPC241055
0.8258 Intermediate Similarity NPC475845
0.8258 Intermediate Similarity NPC266176
0.8247 Intermediate Similarity NPC86144
0.8247 Intermediate Similarity NPC304659
0.8235 Intermediate Similarity NPC189470
0.8231 Intermediate Similarity NPC103379
0.8231 Intermediate Similarity NPC477565
0.8227 Intermediate Similarity NPC220923
0.8227 Intermediate Similarity NPC470707
0.8219 Intermediate Similarity NPC95075
0.8219 Intermediate Similarity NPC90844
0.8219 Intermediate Similarity NPC253883
0.8214 Intermediate Similarity NPC255817
0.8214 Intermediate Similarity NPC277042
0.8214 Intermediate Similarity NPC230698
0.8214 Intermediate Similarity NPC205178
0.8214 Intermediate Similarity NPC73883
0.8214 Intermediate Similarity NPC251454
0.8214 Intermediate Similarity NPC136330
0.8214 Intermediate Similarity NPC196609
0.8209 Intermediate Similarity NPC217277
0.8205 Intermediate Similarity NPC474708
0.8205 Intermediate Similarity NPC75958
0.8194 Intermediate Similarity NPC181653
0.8194 Intermediate Similarity NPC190332
0.8188 Intermediate Similarity NPC133011
0.8188 Intermediate Similarity NPC476570
0.8188 Intermediate Similarity NPC82285
0.8176 Intermediate Similarity NPC97221
0.8176 Intermediate Similarity NPC151895
0.8176 Intermediate Similarity NPC192768
0.8176 Intermediate Similarity NPC88249
0.8176 Intermediate Similarity NPC220858
0.8153 Intermediate Similarity NPC19520
0.8153 Intermediate Similarity NPC65403
0.8153 Intermediate Similarity NPC470739
0.8153 Intermediate Similarity NPC149090
0.8153 Intermediate Similarity NPC477640
0.8153 Intermediate Similarity NPC225597
0.8146 Intermediate Similarity NPC147091
0.8141 Intermediate Similarity NPC475686
0.8141 Intermediate Similarity NPC58766
0.8129 Intermediate Similarity NPC476002
0.8121 Intermediate Similarity NPC476568
0.8121 Intermediate Similarity NPC326316
0.8121 Intermediate Similarity NPC476579
0.8121 Intermediate Similarity NPC119669
0.8121 Intermediate Similarity NPC81733
0.8108 Intermediate Similarity NPC92541
0.8108 Intermediate Similarity NPC207824
0.8108 Intermediate Similarity NPC211296
0.8108 Intermediate Similarity NPC60538
0.8101 Intermediate Similarity NPC2314
0.8101 Intermediate Similarity NPC4669
0.8099 Intermediate Similarity NPC225745
0.8089 Intermediate Similarity NPC311991
0.8089 Intermediate Similarity NPC6152
0.8089 Intermediate Similarity NPC474475
0.8085 Intermediate Similarity NPC11147
0.8085 Intermediate Similarity NPC180647
0.8067 Intermediate Similarity NPC476580
0.805 Intermediate Similarity NPC304675
0.805 Intermediate Similarity NPC229166
0.805 Intermediate Similarity NPC187678
0.805 Intermediate Similarity NPC128560
0.805 Intermediate Similarity NPC199465
0.8025 Intermediate Similarity NPC86469
0.8 Intermediate Similarity NPC298486
0.8 Intermediate Similarity NPC287588
0.8 Intermediate Similarity NPC118419
0.8 Intermediate Similarity NPC76213
0.8 Intermediate Similarity NPC237044
0.8 Intermediate Similarity NPC474470
0.8 Intermediate Similarity NPC277669
0.7987 Intermediate Similarity NPC249274
0.7987 Intermediate Similarity NPC470088
0.7987 Intermediate Similarity NPC205167
0.7986 Intermediate Similarity NPC77572
0.7975 Intermediate Similarity NPC152212
0.7973 Intermediate Similarity NPC144863
0.7961 Intermediate Similarity NPC127674
0.7961 Intermediate Similarity NPC172765
0.7961 Intermediate Similarity NPC469817
0.7961 Intermediate Similarity NPC278799
0.7961 Intermediate Similarity NPC54379
0.7961 Intermediate Similarity NPC80129
0.7961 Intermediate Similarity NPC276588
0.7961 Intermediate Similarity NPC207757
0.7961 Intermediate Similarity NPC193949
0.7961 Intermediate Similarity NPC99659
0.7961 Intermediate Similarity NPC204828
0.7961 Intermediate Similarity NPC295691
0.7961 Intermediate Similarity NPC187022
0.7961 Intermediate Similarity NPC244112
0.7961 Intermediate Similarity NPC110416
0.7961 Intermediate Similarity NPC325871
0.7961 Intermediate Similarity NPC39701
0.7961 Intermediate Similarity NPC249797
0.7961 Intermediate Similarity NPC2413
0.7961 Intermediate Similarity NPC189266
0.7961 Intermediate Similarity NPC5238
0.7961 Intermediate Similarity NPC184026
0.795 Intermediate Similarity NPC474325
0.795 Intermediate Similarity NPC118633
0.795 Intermediate Similarity NPC294790

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC7018 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
0.8705 High Similarity NPD4664 Clinical (unspecified phase)
0.8394 Intermediate Similarity NPD554 Clinical (unspecified phase)
0.8392 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.8382 Intermediate Similarity NPD2669 Clinical (unspecified phase)
0.8345 Intermediate Similarity NPD4584 Approved
0.8333 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.8231 Intermediate Similarity NPD3641 Approved
0.8231 Intermediate Similarity NPD3640 Phase 3
0.8231 Intermediate Similarity NPD3639 Approved
0.8214 Intermediate Similarity NPD2492 Phase 1
0.8188 Intermediate Similarity NPD5718 Phase 2
0.8121 Intermediate Similarity NPD4017 Approved
0.8108 Intermediate Similarity NPD6031 Approved
0.8108 Intermediate Similarity NPD6030 Approved
0.8043 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.8013 Intermediate Similarity NPD4773 Phase 2
0.8013 Intermediate Similarity NPD4772 Phase 2
0.7961 Intermediate Similarity NPD7298 Approved
0.7857 Intermediate Similarity NPD2560 Approved
0.7857 Intermediate Similarity NPD2563 Approved
0.7852 Intermediate Similarity NPD1424 Approved
0.7847 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7847 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD4166 Phase 2
0.7785 Intermediate Similarity NPD6071 Discontinued
0.7778 Intermediate Similarity NPD6895 Approved
0.7778 Intermediate Similarity NPD6896 Approved
0.7722 Intermediate Similarity NPD6107 Approved
0.7664 Intermediate Similarity NPD3705 Approved
0.7658 Intermediate Similarity NPD7201 Clinical (unspecified phase)
0.7651 Intermediate Similarity NPD5241 Discontinued
0.7643 Intermediate Similarity NPD5604 Discontinued
0.7643 Intermediate Similarity NPD7832 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD7833 Phase 2
0.7643 Intermediate Similarity NPD7831 Phase 2
0.7628 Intermediate Similarity NPD5978 Approved
0.7628 Intermediate Similarity NPD5977 Approved
0.7622 Intermediate Similarity NPD2674 Phase 3
0.761 Intermediate Similarity NPD7802 Discontinued
0.7578 Intermediate Similarity NPD2898 Approved
0.7562 Intermediate Similarity NPD4010 Discontinued
0.755 Intermediate Similarity NPD3124 Discontinued
0.7532 Intermediate Similarity NPD7261 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD6788 Approved
0.7452 Intermediate Similarity NPD2978 Approved
0.7452 Intermediate Similarity NPD2977 Approved
0.7452 Intermediate Similarity NPD6818 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD5312 Approved
0.7439 Intermediate Similarity NPD5313 Approved
0.7436 Intermediate Similarity NPD7110 Phase 1
0.7436 Intermediate Similarity NPD7109 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD3145 Approved
0.7431 Intermediate Similarity NPD3144 Approved
0.7429 Intermediate Similarity NPD1420 Approved
0.7429 Intermediate Similarity NPD1421 Approved
0.7425 Intermediate Similarity NPD7280 Phase 3
0.7425 Intermediate Similarity NPD7281 Phase 3
0.7417 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD6688 Approved
0.7407 Intermediate Similarity NPD6687 Approved
0.7403 Intermediate Similarity NPD6662 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD3885 Approved
0.7386 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD1375 Discontinued
0.7378 Intermediate Similarity NPD8252 Approved
0.7378 Intermediate Similarity NPD8099 Discontinued
0.7378 Intermediate Similarity NPD8251 Approved
0.7372 Intermediate Similarity NPD1337 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD7124 Phase 2
0.7362 Intermediate Similarity NPD4481 Phase 3
0.7355 Intermediate Similarity NPD4210 Discontinued
0.7349 Intermediate Similarity NPD6297 Approved
0.7347 Intermediate Similarity NPD2653 Approved
0.7346 Intermediate Similarity NPD3051 Approved
0.7333 Intermediate Similarity NPD1372 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD8156 Discontinued
0.7329 Intermediate Similarity NPD3109 Approved
0.7329 Intermediate Similarity NPD3110 Approved
0.7314 Intermediate Similarity NPD4420 Approved
0.7301 Intermediate Similarity NPD2970 Approved
0.7301 Intermediate Similarity NPD2969 Approved
0.7297 Intermediate Similarity NPD6111 Discontinued
0.7285 Intermediate Similarity NPD4237 Approved
0.7285 Intermediate Similarity NPD3060 Approved
0.7285 Intermediate Similarity NPD5177 Phase 3
0.7285 Intermediate Similarity NPD4236 Phase 3
0.7285 Intermediate Similarity NPD4162 Approved
0.7273 Intermediate Similarity NPD7905 Discontinued
0.7267 Intermediate Similarity NPD3656 Approved
0.7266 Intermediate Similarity NPD2668 Approved
0.7266 Intermediate Similarity NPD2667 Approved
0.7261 Intermediate Similarity NPD6875 Approved
0.7261 Intermediate Similarity NPD6876 Approved
0.726 Intermediate Similarity NPD4474 Approved
0.726 Intermediate Similarity NPD4475 Approved
0.7256 Intermediate Similarity NPD27 Approved
0.7256 Intermediate Similarity NPD2489 Approved
0.7255 Intermediate Similarity NPD2120 Phase 2
0.7226 Intermediate Similarity NPD3647 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD5677 Discontinued
0.7219 Intermediate Similarity NPD7153 Discontinued
0.7212 Intermediate Similarity NPD5602 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD1632 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD2161 Phase 2
0.7197 Intermediate Similarity NPD824 Approved
0.7194 Intermediate Similarity NPD1357 Approved
0.7188 Intermediate Similarity NPD2358 Clinical (unspecified phase)
0.7183 Intermediate Similarity NPD1669 Approved
0.7179 Intermediate Similarity NPD4727 Phase 1
0.7179 Intermediate Similarity NPD5976 Discontinued
0.7176 Intermediate Similarity NPD6851 Approved
0.7176 Intermediate Similarity NPD6853 Approved
0.717 Intermediate Similarity NPD5720 Discontinued
0.717 Intermediate Similarity NPD7945 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD3349 Phase 2
0.7151 Intermediate Similarity NPD5006 Approved
0.7151 Intermediate Similarity NPD5005 Approved
0.7133 Intermediate Similarity NPD7258 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD4108 Discontinued
0.7132 Intermediate Similarity NPD5283 Phase 1
0.7124 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD5917 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD4579 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD2232 Approved
0.7113 Intermediate Similarity NPD2233 Approved
0.7113 Intermediate Similarity NPD2230 Approved
0.7097 Intermediate Similarity NPD5297 Approved
0.7083 Intermediate Similarity NPD4098 Discontinued
0.7076 Intermediate Similarity NPD8054 Approved
0.7076 Intermediate Similarity NPD8053 Approved
0.7076 Intermediate Similarity NPD6618 Phase 2
0.7075 Intermediate Similarity NPD1336 Approved
0.7075 Intermediate Similarity NPD1039 Discontinued
0.7071 Intermediate Similarity NPD2595 Approved
0.7071 Intermediate Similarity NPD2594 Approved
0.707 Intermediate Similarity NPD1914 Approved
0.7063 Intermediate Similarity NPD3384 Approved
0.7063 Intermediate Similarity NPD3383 Approved
0.7063 Intermediate Similarity NPD3382 Approved
0.7051 Intermediate Similarity NPD4123 Phase 3
0.7035 Intermediate Similarity NPD5087 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD709 Approved
0.7027 Intermediate Similarity NPD3530 Approved
0.7027 Intermediate Similarity NPD3532 Approved
0.7027 Intermediate Similarity NPD3531 Approved
0.702 Intermediate Similarity NPD1753 Discontinued
0.7019 Intermediate Similarity NPD5772 Approved
0.7019 Intermediate Similarity NPD5773 Approved
0.7013 Intermediate Similarity NPD6331 Phase 2
0.7013 Intermediate Similarity NPD5754 Discontinued
0.7011 Intermediate Similarity NPD3408 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD5582 Discontinued
0.6993 Remote Similarity NPD1044 Clinical (unspecified phase)
0.6987 Remote Similarity NPD2420 Approved
0.6987 Remote Similarity NPD2421 Approved
0.6985 Remote Similarity NPD228 Approved
0.698 Remote Similarity NPD2238 Phase 2
0.6977 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6974 Remote Similarity NPD3156 Discontinued
0.6968 Remote Similarity NPD3692 Discontinued
0.6959 Remote Similarity NPD6812 Clinical (unspecified phase)
0.6954 Remote Similarity NPD743 Approved
0.6946 Remote Similarity NPD6365 Clinical (unspecified phase)
0.6943 Remote Similarity NPD4739 Approved
0.6943 Remote Similarity NPD1771 Clinical (unspecified phase)
0.6932 Remote Similarity NPD7296 Approved
0.6923 Remote Similarity NPD3845 Phase 1
0.6919 Remote Similarity NPD2971 Approved
0.6919 Remote Similarity NPD2968 Approved
0.6918 Remote Similarity NPD7247 Discontinued
0.6908 Remote Similarity NPD3693 Clinical (unspecified phase)
0.6903 Remote Similarity NPD3977 Clinical (unspecified phase)
0.6903 Remote Similarity NPD6748 Discontinued
0.6899 Remote Similarity NPD6090 Discontinued
0.6894 Remote Similarity NPD6873 Phase 2
0.6894 Remote Similarity NPD6386 Approved
0.6894 Remote Similarity NPD6385 Approved
0.689 Remote Similarity NPD4055 Discovery
0.6887 Remote Similarity NPD2986 Phase 2
0.6887 Remote Similarity NPD2989 Phase 2
0.6882 Remote Similarity NPD3920 Phase 2
0.6879 Remote Similarity NPD2486 Discontinued
0.6875 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6857 Remote Similarity NPD7291 Discontinued
0.6857 Remote Similarity NPD7906 Approved
0.6854 Remote Similarity NPD6493 Phase 3
0.6853 Remote Similarity NPD3294 Phase 2
0.6851 Remote Similarity NPD5457 Discontinued
0.6848 Remote Similarity NPD7400 Phase 3
0.6846 Remote Similarity NPD5109 Approved
0.6846 Remote Similarity NPD5110 Phase 2
0.6846 Remote Similarity NPD5111 Phase 2
0.6842 Remote Similarity NPD7119 Phase 2
0.6842 Remote Similarity NPD6996 Clinical (unspecified phase)
0.6835 Remote Similarity NPD593 Approved
0.6835 Remote Similarity NPD595 Approved
0.6832 Remote Similarity NPD4675 Approved
0.6832 Remote Similarity NPD4678 Approved
0.6831 Remote Similarity NPD3443 Approved
0.6831 Remote Similarity NPD6382 Discontinued

Structure

External Identifiers

PubChem CID   22301
ChEMBL   CHEMBL2140445
ZINC  

Physicochemical Properties

Molecular Weight:  191.09
ALogP:  0.0916
MLogP:  2.34
XLogP:  1.214
# Rotatable Bonds:  1
Polar Surface Area:  21.7
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  14

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs