Details of the Drug-Related molecule(s) Expression Atlas

General Information of Drug (ID: DMCXRZF)

Drug Name

LY2603618 Drug Info

Synonyms

LY2603618; Rabusertib; 911222-45-2; LY 2603618; LY-2603618; UNII-3S9L1NU6U7; 3S9L1NU6U7; IC-83; ly2603618 IC-83; (S)-1-(5-bromo-4-methyl-2-(morpholin-2-ylmethoxy)phenyl)-3-(5-methylpyrazin-2-yl)urea; n-(5-bromo-4-methyl-2-((2s)-2-morpholinylmethoxy)phenyl)-n'-(5-methyl-2-pyrazinyl)urea; LY2603618 (IC-83); Rabusertib [USAN:INN]; 3-(5-Bromo-4-methyl-2-[(2s)-morpholin-2-ylmethoxy]phenyl)-1-(5-methylpyrazin-2-yl)urea; N-[5-Bromo-4-methyl-2-[(2S)-2-morpholinylmethoxy)phenyl]-N'-(5-methyl-2-pyrazinyl)urea

Indication

Disease Entry	ICD 11	Status	REF
Pancreatic cancer	2C10	Phase 2	[1]

Cross-matching ID

PubChem CID: 11955855
ChEBI ID: CHEBI:124917
CAS Number: CAS 911222-45-2
TTD Drug ID: DMCXRZF
INTEDE Drug ID: DR1846

Molecule(s) Related to This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Checkpoint kinase-1 (CHK1)	TTTU902	CHK1_HUMAN	Modulator	[2]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	Highest Status	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Phase 2	[3]
Cytochrome P450 2D6 (CYP2D6)	DECB0K3	CP2D6_HUMAN	Phase 2	[3]

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The Expression Level of Molecule(s) in Normal Tissue of Major ADME-Related Organs

Molecule	Molecule Type	Gene Name	Liver	Colon	Kidney	Small Intestine
Checkpoint kinase-1 (CHK1)	DTT	CHEK1	4.267	4.629	3.739	5.322
Cytochrome P450 2D6 (CYP2D6)	DME	CYP2D6	3.307	5.005	3.921	5.327
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	11.692	6.58	4.984	9.089

Molecule Expression Atlas in Normal Tissue of Major ADME-related organs

The Expression Level of Molecule(s) between Disease Section and Healthy Individual Tissue

The Studied Disease

Pancreatic cancer

ICD Disease Classification

2C10

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Checkpoint kinase-1 (CHK1)	DTT	CHEK1	7.22E-191	1.43	4.74
Cytochrome P450 2D6 (CYP2D6)	DME	CYP2D6	1.76E-04	-4.73E-02	-2.39E-01
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	5.59E-39	-3.76E-01	-1.64E+00

Molecular Expression Atlas between Disease Section and Healthy Individual Tissue

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: 7960).
2	Characterization and preclinical development of LY2603618: a selective and potent Chk1 inhibitor. Invest New Drugs. 2014 Apr;32(2):213-26.
3	Disposition and metabolism of LY2603618, a Chk-1 inhibitor following intravenous administration in patients with advanced and/or metastatic solid tumors. Xenobiotica. 2014 Sep;44(9):827-41.