Elimusertib

Elimusertib
Identifiers
	IUPAC name (3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;
CAS Number	1876467-74-1;
PubChem CID	118869362;
IUPHAR/BPS	10354;
DrugBank	DB19041;
ChemSpider	64854199;
UNII	7N13IK9LNH;
ChEMBL	ChEMBL4647810;
Chemical and physical data
Formula	C20H21N7O
Molar mass	375.436 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C[C@@H]1COCCN1C2=NC3=C(C=CN=C3C4=CC=NN4)C(=C2)C5=CC=NN5C;
	InChI InChI=1S/C20H21N7O/c1-13-12-28-10-9-27(13)18-11-15(17-5-8-23-26(17)2)14-3-6-21-20(19(14)24-18)16-4-7-22-25-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,25)/t13-/m1/s1; Key:YBXRSCXGRPSTMW-CYBMUJFWSA-N;

Elimusertib (Bay 1895344) is an experimental anticancer drug which acts as an inhibitor of ataxia telangiectasia and Rad3 related protein. This is involved in DNA repair following damage, and so inhibiting this protein causes cancer cells to become more vulnerable to other chemotherapy drugs. Elimusertib is in early stage clinical trials against advanced solid tumors.^[1]^[2]^[3]^[4]

CAS Number

1876467-74-1

PubChem CID

118869362

IUPHAR/BPS

10354

DrugBank

DB19041

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Elimusertib

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Identifiers

IUPAC name (3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CAS Number	1876467-74-1
PubChem CID	118869362
IUPHAR/BPS	10354
DrugBank	DB19041
ChemSpider	64854199
UNII	7N13IK9LNH
ChEMBL	ChEMBL4647810
Chemical and physical data
Formula	C₂₀H₂₁N₇O
Molar mass	375.436 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C[C@@H]1COCCN1C2=NC3=C(C=CN=C3C4=CC=NN4)C(=C2)C5=CC=NN5C
InChI InChI=1S/C20H21N7O/c1-13-12-28-10-9-27(13)18-11-15(17-5-8-23-26(17)2)14-3-6-21-20(19(14)24-18)16-4-7-22-25-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,25)/t13-/m1/s1 Key:YBXRSCXGRPSTMW-CYBMUJFWSA-N