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Compound Detail

CHEMBL3601398

CGM-097
Phase I
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Phase I
COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@H]3CC[C@H](N4CCN(C)C(=O)C4)CC3)cc1)C(=O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3601398
Name CGM-097
Phase Phase I
Structure Type MOL
InChI Key CLRSLRWKONPSRQ-IIPSPAQQSA-N

Known Names

CGM 097 Cgm-097 Cgm097 NVP-CGM-097
9
Targets
20
Activities
3
Assay Types
30
PK Parameters
20
Publications
4
Known Names
1
Indications

Molecular Properties

659.3
MW (Da)
6.58
ALogP
6
HBA
0
HBD
65.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Extended Properties

Molecular Formula C38H47ClN4O4
MW 659.27
Aromatic Rings 3
Heavy Atoms 47
NP-Likeness -0.83

Indications

Neoplasms

Activity Summary

IC50 15 meas. best 9.1
Ki 4 meas. best 8.89
Kd 1 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
E3 ubiquitin-protein ligase Mdm2
CHEMBL5023
 IC50 9.1 7.91 0.8 4
E3 ubiquitin-protein ligase Mdm2
CHEMBL5023
 Ki 8.89 8.89 1.3 1
Tumour suppressor p53/oncoprotein Mdm2
CHEMBL1907611
 IC50 8.77 7.71 1.7 2
E3 ubiquitin-protein ligase Mdm2
CHEMBL5023
 Kd 8.64 8.64 2.3 1
E3 ubiquitin-protein ligase Mdm2
CHEMBL3600278
 Ki 7.69 7.69 20.5 1
Unchecked
CHEMBL612545
 Ki 7.32 7.32 47.4 1
E3 ubiquitin-protein ligase Mdm2
CHEMBL3600279
 Ki 7.18 7.18 65.9 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.45 5.57 353.0 2
HCT-116
CHEMBL394
 IC50 6.34 5.57 454.0 2
Protein Mdm4
CHEMBL1255126
 IC50 5.7 5.68 2000.0 3
Unchecked
CHEMBL612545
 IC50 5.35 5.35 4500.0 1
Cytochrome P450 3A4
CHEMBL340
 IC50 4.77 4.77 17000.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 1832.11 ng.hr.mL-1 Rattus norvegicus
AUC 2199.98 ng.hr.mL-1 Mus musculus
AUC 3951.01 ng.hr.mL-1 Canis lupus familiaris
AUC 2459.08 ng.hr.mL-1 Macaca fascicularis
AUC 22415.18 ng.hr.mL-1 Rattus norvegicus
AUC 40215.47 ng.hr.mL-1 Rattus norvegicus
AUC 107461.01 ng.hr.mL-1 Rattus norvegicus
AUC 277552.67 ng.hr.mL-1 Rattus norvegicus
AUC 151632.1 ng.hr.mL-1 Rattus norvegicus
AUC 251181.87 ng.hr.mL-1 Rattus norvegicus
AUC 406110.32 ng.hr.mL-1 Rattus norvegicus
AUC 688937.15 ng.hr.mL-1 Rattus norvegicus
CL 5.0 mL.min-1.kg-1 Mus musculus
CL 26.6 mL.min-1.g-1 Macaca mulatta
CL 52.3 mL.min-1.g-1 Homo sapiens
CL 7.0 mL.min-1.kg-1 Rattus norvegicus
CL 3.0 mL.min-1.kg-1 Canis lupus familiaris
CL 4.0 mL.min-1.kg-1 Macaca fascicularis
Cmax 134.0 nM Rattus norvegicus
Cmax 207.0 nM Mus musculus
Cmax 251.0 nM Canis lupus familiaris
Cmax 363.0 nM Macaca fascicularis
F 81.0 % Rattus norvegicus
F 71.0 % Mus musculus
F 74.0 % Canis lupus familiaris
F 57.0 % Macaca fascicularis
T1/2 6.4 hr Rattus norvegicus
T1/2 6.4 hr Mus musculus
T1/2 19.8 hr Canis lupus familiaris
T1/2 8.3 hr Macaca fascicularis

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
E3 ubiquitin-protein ligase Mdm2 IC50 = 0.8 nM 9.1 Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay: The inhibition of p5... -
E3 ubiquitin-protein ligase Mdm2 Ki = 1.3 nM 8.89 Inhibition of human MDM2 by TR-FRET assay 26181851
Tumour suppressor p53/oncoprotein Mdm2 IC50 = 1.7 nM 8.77 Inhibition of MDM2/p53 interaction (unknown origin) using biotinylated MDM2 and ... 26181851
E3 ubiquitin-protein ligase Mdm2 IC50 = 1.7 nM 8.77 Inhibition of human MDM2 by TR-FRET assay 35420431
E3 ubiquitin-protein ligase Mdm2 IC50 = 1.7 nM 8.77 Inhibition of human MDM2 by TR-FRET assay 38581730
E3 ubiquitin-protein ligase Mdm2 Kd = 2.3 nM 8.64 Inhibition of human MDM2 L33E mutant (14 to 111 residues) by ITC method 26181851
E3 ubiquitin-protein ligase Mdm2 Ki = 20.5 nM 7.69 Inhibition of dog MDM2 by TR-FRET assay 26181851
Unchecked Ki = 47.4 nM 7.32 Inhibition of rat MDM2 by TR-FRET assay 26181851
E3 ubiquitin-protein ligase Mdm2 Ki = 65.9 nM 7.18 Inhibition of mouse MDM2 by TR-FRET assay 26181851
Tumour suppressor p53/oncoprotein Mdm2 IC50 = 224.0 nM 6.65 Inhibition of MDM2/p53 interaction (unknown origin) assessed as p53 nuclear tran... 26181851
NON-PROTEIN TARGET IC50 = 353.0 nM 6.45 Inhibition of cell proliferation of human SJSA1 cells expressing p53 26181851
HCT-116 IC50 = 454.0 nM 6.34 Inhibition of cell proliferation of human HCT116 cells expressing p53 26181851
Protein Mdm4 IC50 = 2000.0 nM 5.7 Inhibition of human MDM4 by TR-FRET assay 26181851
Protein Mdm4 IC50 = 2100.0 nM 5.68 Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay: The inhibition of p5... -
Protein Mdm4 IC50 = 2200.0 nM 5.66 Inhibition of human MDM4 by TR-FRET assay 35420431
Unchecked IC50 = 4500.0 nM 5.35 Inhibition of Ras (unknown origin) assessed as inhibition of Ras-Raf interaction... 26181851
E3 ubiquitin-protein ligase Mdm2 IC50 = 10000.0 nM 5.0 Inhibition of p53 derived Cy5-p53 peptide (18 to 26 residues) binding to human M... 31100649
HCT-116 IC50 = 15983.0 nM 4.8 Inhibition of cell proliferation of human HCT116 cells deficient with p53 gene 26181851
Cytochrome P450 3A4 IC50 = 17000.0 nM 4.77 Time dependent inhibition of CYP3A4 in human liver microsomes 26181851
NON-PROTEIN TARGET IC50 = 20464.0 nM 4.69 Inhibition of cell proliferation of human Saos2 cells deficient with p53 gene 26181851

Literature References

PubMed DOI Target Context # Activities
26181851 10.1021/acs.jmedchem.5b00810 Rattus norvegicus 39
26181851 10.1021/acs.jmedchem.5b00810 SJSA-1 9
26181851 10.1021/acs.jmedchem.5b00810 Unchecked 7
26181851 10.1021/acs.jmedchem.5b00810 Mus musculus 7
26181851 10.1021/acs.jmedchem.5b00810 Cynomolgus monkey 7
26181851 10.1021/acs.jmedchem.5b00810 Canis familiaris 7
26181851 10.1021/acs.jmedchem.5b00810 E3 ubiquitin-protein ligase Mdm2 6
26181851 10.1021/acs.jmedchem.5b00810 Rhesus monkey 5
26181851 10.1021/acs.jmedchem.5b00810 Plasma 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
26181851 10.1021/acs.jmedchem.5b00810 HCT-116 3
26181851 10.1021/acs.jmedchem.5b00810 Tumour suppressor p53/oncoprotein Mdm2 2
26181851 10.1021/acs.jmedchem.5b00810 No relevant target 2
26181851 10.1021/acs.jmedchem.5b00810 Apoptosis regulator Bcl-2 2
26181851 10.1021/acs.jmedchem.5b00810 Induced myeloid leukemia cell differentiation protein Mcl-1 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
26181851 10.1021/acs.jmedchem.5b00810 NON-PROTEIN TARGET 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
26181851 10.1021/acs.jmedchem.5b00810 Liver microsome 1
38581730 10.1016/j.ejmech.2024.116366 E3 ubiquitin-protein ligase Mdm2 1

Data from ChEMBL 36 via Core Engine