Details of the Drug

General Information of Drug (ID: DMBFLOJ)

Drug Name

LY2365109

Synonyms

LY-2365109; LY 2365109

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

385.5

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C22H27NO5
IUPAC Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-2-tert-butylphenoxy]ethyl-methylamino]acetic acid
Canonical SMILES: CC(C)(C)C1=C(C=CC(=C1)C2=CC3=C(C=C2)OCO3)OCCN(C)CC(=O)O
InChI: InChI=1S/C22H27NO5/c1-22(2,3)17-11-15(16-6-8-19-20(12-16)28-14-27-19)5-7-18(17)26-10-9-23(4)13-21(24)25/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,24,25)
InChIKey: FKPLJWGRBCQLTL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11552757
TTD ID: D0U1CN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycine transporter GlyT-1 (SLC6A9)	TTHJTF7	SC6A9_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glycine transporter GlyT-1 (SLC6A9)	DTT	SLC6A9	4.94E-01	-0.09	-0.34
Glycine transporter GlyT-1 (SLC6A9)	DTT	SLC6A9	1.64E-01	-0.03	-0.17

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

Experimental Cancer Drug Sensitivity Information

Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Central Nervous System Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
SF295	CTRP1	6.8001	8.1451	4.6171	0.4942
GaMG	CTRP1	7.0974	8.5417	4.5887	0.4132
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Cancer Drug Sensitivity Data Curated from 8 Cell Line(s) in Endometrium Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
HEC-59	CTRP1	6.0827	8.8697	3.9243	6.6515
HEC-108	CTRP1	6.1922	9.8875	3.5113	9.7066
HEC-265	CTRP1	6.3397	7.5381	4.6554	0.7107
MFE-319	CTRP1	6.4107	10.0496	3.5802	8.5086
HEC-6	CTRP1	6.5907	7.9147	4.618	0.6519
HEC-251	CTRP1	6.7052	8.3572	4.4968	1.1395
KLE	CTRP1	6.9936	8.9921	4.3758	1.4622
Ishikawa (Heraklio) 02 ER-	CTRP1	5.6924	7.7169	4.2135	5.3583
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⏷ Show the Full List of 8 Cancer Drug Sensitivity Data of This Drug

Cancer Drug Sensitivity Data Curated from 6 Cell Line(s) in Haematopoietic And Lymphoid Tissue Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
KE-97	CTRP1	4.9829	5.8314	4.6076	4.3935
BL-70	CTRP1	6.0043	7.1662	4.6499	1.1685
HT	CTRP1	6.0406	7.7966	4.3958	2.9308
Ku812	CTRP1	6.4241	8.1652	4.4418	1.8595
MC116	CTRP1	6.6552	7.4781	4.7967	0.0748
P3HR-1	CTRP1	7.6545	9.2317	4.5518	0.272
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⏷ Show the Full List of 6 Cancer Drug Sensitivity Data of This Drug

Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Kidney Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
VMRC-RCW	CTRP1	6.1806	8.8334	4.0044	5.7196
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Cancer Drug Sensitivity Data Curated from 10 Cell Line(s) in Large Intestine Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
SW48	CTRP1	5.3134	7.5737	4.0068	8.4669
SK-CO-1	CTRP1	5.8927	8.018	4.2031	4.8634
DLD-1	CTRP1	6.283	7.095	4.796	0.1889
SW403	CTRP1	6.5445	9.1549	4.0764	4.2605
LS411N	CTRP1	6.5504	7.894	4.6089	0.7307
SNU-C2A	CTRP1	6.5856	10.902	3.2907	10.2512
COLO205	CTRP1	6.7478	7.9709	4.6598	0.3736
GP2d	CTRP1	6.7513	8.4197	4.4928	1.1089
C2BBe1	CTRP1	7.1158	9.03	4.4149	1.1213
LS513	CTRP1	7.4732	13.745	2.5254	13.0822
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⏷ Show the Full List of 10 Cancer Drug Sensitivity Data of This Drug

Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Liver Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
JHH-6	CTRP1	6.0503	6.9145	4.7707	0.4346
SNU-449	CTRP1	6.65	10.7256	3.4165	9.1105
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Cancer Drug Sensitivity Data Curated from 54 Cell Line(s) in Lung Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
ChaGo-K-1	CTRP1	5.6521	8.2014	3.9504	7.7633
COR-L279	CTRP1	5.7281	7.6243	4.2818	4.6681
NCI-H1930	CTRP1	5.7817	10.3032	3.012	14.9828
DMS 273	CTRP1	5.7918	7.8818	4.2016	5.164
Lu-99	CTRP1	5.9044	7.1808	4.5922	1.7397
BEN	CTRP1	5.9227	7.2606	4.5672	1.8856
NCI-H1568	CTRP1	5.9367	7.839	4.3144	3.827
NCI-H82	CTRP1	5.957	7.4916	4.4844	2.4346
HCC44	CTRP1	6.0286	8.9811	3.8351	7.5519
NCI-H2029	CTRP1	6.0748	8.0324	4.3092	3.5293
LCLC-97TM1	CTRP1	6.1147	9.0052	3.881	6.9176
NCI-H1048	CTRP1	6.1569	8.3308	4.2222	4.0224
NCI-H1299	CTRP1	6.1794	9.8959	3.4985	9.8492
KNS-62	CTRP1	6.1805	10.1245	3.389	10.717
NCI-H522	CTRP1	6.1958	8.5982	4.1231	4.7186
COLO 668	CTRP1	6.2064	8.9029	3.9883	5.782
VMRC-LCD	CTRP1	6.2595	8.8486	4.0466	5.1722
NCI-H1792	CTRP1	6.2802	8.4058	4.2603	3.4405
NCI-H23	CTRP1	6.2842	8.2378	4.3371	2.8536
NCI-H1573	CTRP1	6.3118	8.8406	4.082	4.7583
NCI-H1373	CTRP1	6.4285	8.3625	4.3605	2.4059
LCLC-103H	CTRP1	6.4568	7.718	4.6364	0.6883
NCI-H1355	CTRP1	6.4764	8.9796	4.1159	4.1105
HARA [Human squamous cell lung carcinoma]	CTRP1	6.5028	9.2072	4.0287	4.7212
NCI-H358	CTRP1	6.5088	8.6035	4.2992	2.6896
NCI-H1944	CTRP1	6.5102	9.2223	4.0262	4.7233
NCI-H2405	CTRP1	6.5178	9.2184	4.0324	4.6579
A-549	CTRP1	6.5451	8.8371	4.2174	3.2076
NCI-H2286	CTRP1	6.5861	8.395	4.4263	1.7087
NCI-H661	CTRP1	6.6319	10.5714	3.4774	8.6927
NCI-H1666	CTRP1	6.6399	9.7984	3.8411	5.8486
NCI-H810	CTRP1	6.6553	8.1195	4.5673	0.83
NCI-H1793	CTRP1	6.6836	9.8299	3.8529	5.6529
LC-1/sq-SF	CTRP1	6.7132	10.368	3.6236	7.3479
NCI-H2009	CTRP1	6.7286	9.0465	4.2245	2.8113
HCC33	CTRP1	6.765	8.9128	4.2995	2.2447
NCI-H1437	CTRP1	6.7805	10.28	3.7053	6.5512
HCC78	CTRP1	6.7913	9.3685	4.1191	3.4357
NCI-H727	CTRP1	6.858	9.7512	3.9881	4.2493
Calu-3	CTRP1	6.962	8.6902	4.4795	0.9574
Lu-65	CTRP1	6.9953	8.713	4.4849	0.9005
RERF-LC-KJ	CTRP1	6.9995	8.3357	4.625	0.3501
LXF 289	CTRP1	7.0256	9.1495	4.3276	1.6954
NCI-H650	CTRP1	7.0701	8.7999	4.4832	0.8414
EPLC-272H	CTRP1	7.0984	9.2986	4.3015	1.7523
SHP-77	CTRP1	7.1103	13.8937	2.2121	16.0171
Calu-6	CTRP1	7.1216	8.5143	4.6074	0.3429
NCI-H1435	CTRP1	7.2156	9.3184	4.3465	1.3644
COR-L88	CTRP1	7.226	8.8874	4.5136	0.5979
NCI-H2126	CTRP1	7.2597	8.3889	4.6991	0.1007
NCI-H1915	CTRP1	7.3087	8.7122	4.6068	0.2656
EBC-1	CTRP1	7.3429	14.7963	1.9371	16.9289
NCI-H1975	CTRP1	7.3694	8.9006	4.5633	0.3551
DV-90	CTRP1	7.5428	9.4042	4.4494	0.628
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⏷ Show the Full List of 54 Cancer Drug Sensitivity Data of This Drug

Cancer Drug Sensitivity Data Curated from 3 Cell Line(s) in Oesophagus Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
KYSE-140	CTRP1	6.0043	8.5999	4.0007	6.2407
KYSE-450	CTRP1	6.1491	7.806	4.4522	2.2783
KYSE-410	CTRP1	6.1713	8.82	4.0048	5.7414
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Cancer Drug Sensitivity Data Curated from 6 Cell Line(s) in Ovary Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
OVMANA	CTRP1	6.3699	8.6372	4.2081	3.6423
HEY A8	CTRP1	6.5178	10.7382	3.3237	10.1977
COV318	CTRP1	6.689	7.6844	4.7387	0.1748
EFO-21	CTRP1	6.98	8.2713	4.6404	0.3136
JHOS-4	CTRP1	7.0268	8.6377	4.5261	0.6915
SK-OV-3	CTRP1	7.1443	8.9135	4.4711	0.832
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⏷ Show the Full List of 6 Cancer Drug Sensitivity Data of This Drug

Cancer Drug Sensitivity Data Curated from 10 Cell Line(s) in Pancreas Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
SUIT-2	CTRP1	6.1096	8.186	4.26	3.8362
HuP-T4	CTRP1	6.2269	8.1286	4.3534	2.8503
HPAC	CTRP1	6.3267	9.6417	3.7183	7.6428
Panc 10.05	CTRP1	6.3697	9.1208	3.9885	5.3582
QGP-1	CTRP1	6.4206	8.2585	4.4008	2.1413
CFPAC-1	CTRP1	6.687	10.8937	3.3611	9.4292
Capan-2	CTRP1	6.7274	8.9673	4.2576	2.5865
KP-3	CTRP1	6.8085	11.4112	3.1957	10.3258
PaTu 8902	CTRP1	7.1478	8.7431	4.5354	0.5681
Panc 03.27	CTRP1	7.5646	9.2475	4.5136	0.4075
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⏷ Show the Full List of 10 Cancer Drug Sensitivity Data of This Drug

Cancer Drug Sensitivity Data Curated from 3 Cell Line(s) in Pleura Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
MSTO-211H	CTRP1	5.6582	8.2668	3.9228	7.9812
NCI-H28	CTRP1	6.3249	8.4219	4.2784	3.2071
NCI-H2052	CTRP1	6.9258	10.1931	3.8302	5.2705
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Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Prostate Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
PaCa-3	CTRP1	6.3312	8.7862	4.1185	4.424
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Cancer Drug Sensitivity Data Curated from 5 Cell Line(s) in Skin Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
Hs 944.T	CTRP1	6.1297	7.9077	4.3968	2.7282
G-361	CTRP1	6.2439	8.2789	4.2963	3.2448
COLO 741	CTRP1	6.3528	8.6524	4.1915	3.8068
Hs 852.T	CTRP1	6.4607	8.0072	4.5246	1.286
Hs 936.T	CTRP1	6.7558	7.6343	4.7789	0.0814
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Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Soft Tissue Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
G-401	CTRP1	6.1882	9.5053	3.6918	8.258
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Cancer Drug Sensitivity Data Curated from 6 Cell Line(s) in Stomach Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
Fu97	CTRP1	6.5784	7.9374	4.6042	0.7267
NUGC-4	CTRP1	6.8346	9.1422	4.2383	2.5351
SH-10-TC	CTRP1	7.0919	8.3196	4.6643	0.2072
MKN7	CTRP1	7.2371	9.0595	4.4545	0.8276
MKN74	CTRP1	7.5611	11.3132	3.6885	4.9768
SNG-M	CTRP1	6.8263	8.8057	4.3733	1.6921
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⏷ Show the Full List of 6 Cancer Drug Sensitivity Data of This Drug

Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Upper Aerodigestive Tract Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
HSC-2	CTRP1	6.834	8.1254	4.6373	0.3998
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Cancer Drug Sensitivity Data Curated from 5 Cell Line(s) in Urinary Tract Tissue

Cell Line	Original Dataset	IC50	IC90	EC50	AUC
UM-UC-3	CTRP1	5.8346	7.7889	4.2736	4.4354
5637	CTRP1	5.9702	8.8791	3.8446	7.65
RT-4	CTRP1	5.9942	9.9262	3.3538	11.6001
KMBC-2	CTRP1	6.679	9.3014	4.0871	3.8917
HT-1376	CTRP1	6.9081	10.1659	3.8321	5.295
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References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4712).
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 935).