Compound Detail

CHEMBL5192659

MRTX-0902

Phase I

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Phase I

Cc1c(C#N)cccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CCOCC3)cc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5192659
Name	MRTX-0902
Phase	Phase I
Structure Type	MOL
InChI Key	ILPWEAHQRAWJIU-OAHLLOKOSA-N

Known Names

Mrtx-0902 Mrtx0902

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

388.5

MW (Da)

3.52

ALogP

HBA

HBD

87.0

PSA (Å²)

0.73

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

Flags

Chemical Probe

Extended Properties

Molecular Formula	C22H24N6O
MW	388.48
Aromatic Rings	3
Heavy Atoms	29
NP-Likeness	-1.72

Activity Summary

Ki 5 meas. best 8.75

IC50 4 meas. best 7.54

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Son of sevenless homolog 1 CHEMBL2079846	Ki	8.75	8.726	1.8	5
Unchecked CHEMBL612545	IC50	7.54	7.54	29.0	2
MKN-1 CHEMBL614352	IC50	7.54	7.54	29.0	1
Son of sevenless homolog 1 CHEMBL2079846	IC50	7.34	7.34	46.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
CL	7.9	mL.min-1.kg-1	Homo sapiens
CL	4.4	mL.min-1.kg-1	Mus musculus
CL	14.6	mL.min-1.kg-1	Rattus norvegicus
CL	7.6	mL.min-1.kg-1	Canis lupus familiaris
CL	4.4	mL.min-1.kg-1	Mus musculus
CL	4.4	mL.min-1.kg-1	Rattus norvegicus
CL	4.4	mL.min-1.kg-1	Canis lupus familiaris
F	69.0	%	Mus musculus
F	83.0	%	Rattus norvegicus
F	38.0	%	Canis lupus familiaris
F	38.0	%	Mus musculus
F	38.0	%	Rattus norvegicus
F	38.0	%	Canis lupus familiaris
T1/2	1.3	hr	Mus musculus
T1/2	0.62	hr	Rattus norvegicus
T1/2	0.86	hr	Canis lupus familiaris
T1/2	0.62	hr	Mus musculus
T1/2	0.62	hr	Rattus norvegicus
T1/2	0.62	hr	Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Son of sevenless homolog 1	Ki	=	1.78	nM	8.75	Inhibition of Labeled Tracer Ligand: Table 22: This Example illustrates that exe...	-
Son of sevenless homolog 1	Ki	=	1.9	nM	8.72	Binding affinity to N-terminal his-TEV-Avi-tagged human recombinant SOS1 express...	35833726
Son of sevenless homolog 1	Ki	=	1.9	nM	8.72	Binding affinity to SOS1 (unknown origin) assessed as inhibition constant by HTR...	38430853
Son of sevenless homolog 1	Ki	=	1.9	nM	8.72	Binding affinity to human recombinant SOS1 assessed as inhibition constant	37542991
Son of sevenless homolog 1	Ki	=	1.9	nM	8.72	Binding affinity to SOS1 (unknown origin) assessed as inhibition constant by HTR...	37778239
Unchecked	IC50	=	29.0	nM	7.54	Inhibition of ERK phosphorylation in human MKN-1 cells incubated for 0.5 to 1 hr...	35833726
MKN-1	IC50	=	29.0	nM	7.54	Antiproliferative activity against human MKN-1 cells assessed as reduction in ce...	38430853
Unchecked	IC50	=	29.0	nM	7.54	Inhibition of ERK phosphorylation in human MKN-1 cells by Western blot analysis	37542991
Son of sevenless homolog 1	IC50	=	46.0	nM	7.34	Inhibiting SOS1-Mediated GTP Nucleotide Exchange by Blocking Mant-GDP Exchange: ...	-

Literature References

PubMed	DOI	Target Context	# Activities
35833726	10.1021/acs.jmedchem.2c00741	ADMET	21
37542991	10.1016/j.ejmech.2023.115698	ADMET	12
35833726	10.1021/acs.jmedchem.2c00741	Unchecked	4
35833726	10.1021/acs.jmedchem.2c00741	MIA PaCa-2	2
35833726	10.1021/acs.jmedchem.2c00741	Son of sevenless homolog 1	1
35833726	10.1021/acs.jmedchem.2c00741	Epidermal growth factor receptor	1
35833726	10.1021/acs.jmedchem.2c00741	No relevant target	1
38430853	10.1016/j.ejmech.2024.116282	Son of sevenless homolog 1	1
38430853	10.1016/j.ejmech.2024.116282	MKN-1	1
37542991	10.1016/j.ejmech.2023.115698	Son of sevenless homolog 1	1
37542991	10.1016/j.ejmech.2023.115698	Unchecked	1
37778239	10.1016/j.ejmech.2023.115828	Son of sevenless homolog 1	1

Data from ChEMBL 36 via Core Engine