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Compound Detail

CHEMBL3112866

SAR-260301
Phase I
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Phase I
C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3112866
Name SAR-260301
Phase Phase I
Structure Type MOL
InChI Key UAXHPOBBKRWJGA-ZDUSSCGKSA-N

Known Names

Sar-260301 SAR260301
10
Targets
18
Activities
2
Assay Types
30
PK Parameters
20
Publications
2
Known Names
1
Indications
1
Mechanisms

Molecular Properties

354.4
MW (Da)
1.13
ALogP
5
HBA
1
HBD
78.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Extended Properties

Molecular Formula C19H22N4O3
MW 354.41
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.63

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
PI3-kinase p110-beta subunit inhibitor INHIBITOR Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform ✓ ✓

Indications

Neoplasms

Activity Summary

IC50 16 meas. best 7.8
EC50 2 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
 IC50 7.8 7.6967 16.0 6
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
CHEMBL3145
 IC50 7.64 7.39 23.0 3
Phosphatidylinositol 3-kinase catalytic subunit type 3
CHEMBL1075165
 IC50 6.74 6.74 183.0 1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
 IC50 6.33 6.33 468.0 1
Mus musculus
CHEMBL375
 EC50 6.17 5.755 680.0 2
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
CHEMBL4005
 IC50 5.81 5.81 1539.0 1
DNA-dependent protein kinase catalytic subunit
CHEMBL3142
 IC50 5.7 5.7 2000.0 1
Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma
CHEMBL1163120
 IC50 5.42 5.42 3812.0 1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
 IC50 5.0 5.0 10000.0 1
Cytochrome P450 3A4
CHEMBL340
 IC50 4.4 4.4 40000.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 14000.0 ng.hr.mL-1 Canis lupus familiaris
AUC 6580.0 ng.hr.mL-1 Canis lupus familiaris
AUC 2410.0 ng.hr.mL-1 Rattus norvegicus
AUC 864.0 ng.hr.mL-1 Rattus norvegicus
AUC 11000.0 ng.hr.mL-1 Mus musculus
AUC 610.0 ng.hr.mL-1 Mus musculus
AUC 600.0 ng.hr.mL-1 Mus musculus
CL 6.667 mL.min-1.kg-1 Canis lupus familiaris
CL 56.67 mL.min-1.kg-1 Rattus norvegicus
CL 83.33 mL.min-1.kg-1 Mus musculus
Cmax 13458.99 nM Canis lupus familiaris
Cmax 13882.23 nM Canis lupus familiaris
Cmax 4119.52 nM Rattus norvegicus
Cmax 3385.91 nM Rattus norvegicus
Cmax 25281.45 nM Mus musculus
Cmax 2392.71 nM Mus musculus
Cmax 5276.37 nM Mus musculus
F 67.0 % Canis lupus familiaris
F 70.0 % Rattus norvegicus
F 55.0 % Mus musculus
F 30.0 % Mus musculus
Fu 0.4 - Mus musculus
T1/2 4.5 hr Canis lupus familiaris
T1/2 5.0 hr Canis lupus familiaris
T1/2 6.9 hr Rattus norvegicus
T1/2 0.87 hr Rattus norvegicus
T1/2 2.5 hr Mus musculus
T1/2 1.4 hr Mus musculus
T1/2 0.87 hr Mus musculus
Tmax 0.5 hr Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAC-alpha serine/threonine-protein kinase IC50 = 16.0 nM 7.8 Sandwich Immunoassay: This test is based on measurement of the expression of AKT... -
RAC-alpha serine/threonine-protein kinase IC50 = 16.0 nM 7.8 Sandwich Immunoassay: This test is based on measurement of the expression of AKT... -
RAC-alpha serine/threonine-protein kinase IC50 = 19.0 nM 7.72 Inhibitory Assay: This test is based on measuring the expression of the AKT prot... -
RAC-alpha serine/threonine-protein kinase IC50 = 19.0 nM 7.72 Inhibitory Assay: This test is based on measuring the expression of the AKT prot... -
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform IC50 = 23.0 nM 7.64 Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus... 24387221
RAC-alpha serine/threonine-protein kinase IC50 = 27.0 nM 7.57 Sandwich Immunoassay: This test is based on measurement of the expression of AKT... -
RAC-alpha serine/threonine-protein kinase IC50 = 27.0 nM 7.57 Sandwich Immunoassay: This test is based on measurement of the expression of AKT... -
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform IC50 = 49.0 nM 7.31 Inhibition of PI3Kbeta-mediated Akt phosphorylation at S473 in PTEN-deficient hu... 24387221
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform IC50 = 60.0 nM 7.22 Inhibition of PI3Kbeta-mediated Akt phosphorylation at S473 in BRAF-V600E/PTEN-d... 24387221
Phosphatidylinositol 3-kinase catalytic subunit type 3 IC50 = 183.0 nM 6.74 Inhibition of VPS34 (unknown origin) 24387221
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform IC50 = 468.0 nM 6.33 Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculoviru... 24387221
Mus musculus EC50 = 680.0 nM 6.17 In vivo inhibition of PI3Kbeta in tumor of po dosed SCID mouse xenografted with ... 24387221
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform IC50 = 1539.0 nM 5.81 Inhibition of N-terminal ploy-His-tagged human PI3Kalpha expressed in baculoviru... 24387221
DNA-dependent protein kinase catalytic subunit IC50 = 2000.0 nM 5.7 Inhibition of DNA-PK (unknown origin) 24387221
Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma IC50 = 3812.0 nM 5.42 Inhibition of PI3KC2gamma (unknown origin) 24387221
Mus musculus EC50 = 4550.0 nM 5.34 In vivo inhibition of PI3Kbeta in tumor of po dosed SCID mouse xenografted with ... 24387221
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform IC50 = 10000.0 nM 5.0 Inhibition of C-terminal ploy-His-tagged human PI3Kgamma expressed in baculoviru... 24387221
Cytochrome P450 3A4 IC50 = 40000.0 nM 4.4 Inhibition of recombinant human CYP3A4 24387221

Literature References

PubMed DOI Target Context # Activities
24387221 10.1021/jm401642q Mus musculus 24
24387221 10.1021/jm401642q Canis familiaris 11
24387221 10.1021/jm401642q Rattus norvegicus 10
24387221 10.1021/jm401642q Plasma 8
24387221 10.1021/jm401642q Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 5
24387221 10.1021/jm401642q Liver microsome 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
24387221 10.1021/jm401642q Caco-2 2
24387221 10.1021/jm401642q Phosphatidylinositol 3-kinase catalytic subunit type 3 1
24387221 10.1021/jm401642q Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma 1
24387221 10.1021/jm401642q Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta 1
24387221 10.1021/jm401642q Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha 1
24387221 10.1021/jm401642q DNA-dependent protein kinase catalytic subunit 1
24387221 10.1021/jm401642q Serine/threonine-protein kinase mTOR 1
24387221 10.1021/jm401642q Cytochrome P450 3A4 1
24387221 10.1021/jm401642q ADMET 1
24387221 10.1021/jm401642q PC-3 1
24387221 10.1021/jm401642q No relevant target 1
24387221 10.1021/jm401642q Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1
24387221 10.1021/jm401642q Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1

Data from ChEMBL 36 via Core Engine