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Compound Detail

CHEMBL2105685

AMUVATINIB HYDROCHLORIDE
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Cl.S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2105685
Name AMUVATINIB HYDROCHLORIDE
Phase Preclinical
Structure Type MOL
InChI Key IKQFRXPMBGQJGE-UHFFFAOYSA-N
Parent Compound CHEMBL2103851
Active Moiety CHEMBL2103851

Known Names

Amuvatinib hydrochloride HPK56 HPK56 HCL MP-470 HCI MP-470 HYDROCHLORIDE MP-470.HCL MP470 HCI MP470.HCL
8
Targets
19
Activities
1
Assay Types
30
PK Parameters
0
Publications
8
Known Names

Molecular Properties

447.5
MW (Da)
3.30
ALogP
7
HBA
1
HBD
75.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -tinib
USAN Year 2010

Extended Properties

Molecular Formula C23H22ClN5O3S
MW 483.98
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.19

Activity Summary

IC50 19 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mast/stem cell growth factor receptor Kit
CHEMBL1936
 IC50 8.0 7.0975 10.0 4
DMS-153
CHEMBL2366167
 IC50 7.58 6.4967 26.0 3
Platelet-derived growth factor receptor alpha
CHEMBL2007
 IC50 7.4 7.245 40.0 2
DMS-114
CHEMBL614642
 IC50 6.64 6.1167 230.0 3
OVCAR-3
CHEMBL614213
 IC50 6.05 6.05 900.0 1
A549
CHEMBL392
 IC50 5.2 5.18 6300.0 2
NCI-H647
CHEMBL614999
 IC50 5.11 4.62 7860.0 3
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 IC50 5.09 5.09 8047.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 94310.0 ng.hr.mL-1 Rattus norvegicus
AUC 73350.0 ng.hr.mL-1 Rattus norvegicus
AUC 18810.0 ng.hr.mL-1 Rattus norvegicus
AUC 2530.9 ng.hr.mL-1 Rattus norvegicus
AUC 1546.3 ng.hr.mL-1 Rattus norvegicus
AUC 12681.6 ng.hr.mL-1 Rattus norvegicus
AUC 3355.1 ng.hr.mL-1 Rattus norvegicus
AUC 97.9 ng.hr.mL-1 Canis lupus familiaris
AUC 256.6 ng.hr.mL-1 Canis lupus familiaris
AUC 559.4 ng.hr.mL-1 Canis lupus familiaris
Cmax 16066.32 nM Rattus norvegicus
Cmax 11776.01 nM Rattus norvegicus
Cmax 19060.6 nM Rattus norvegicus
Cmax 1015.15 nM Rattus norvegicus
Cmax 828.34 nM Rattus norvegicus
Cmax 94.97 nM Canis lupus familiaris
Cmax 174.96 nM Canis lupus familiaris
Cmax 429.92 nM Canis lupus familiaris
F 100.21 % Rattus norvegicus
F 43.4 % Rattus norvegicus
T1/2 0.36 hr Rattus norvegicus
T1/2 2.6 hr Rattus norvegicus
T1/2 3.1 hr Rattus norvegicus
T1/2 4.0 hr Rattus norvegicus
T1/2 2.8 hr Rattus norvegicus
T1/2 2.0 hr Rattus norvegicus
T1/2 2.0 hr Rattus norvegicus
T1/2 7.0 hr Canis lupus familiaris
T1/2 16.0 hr Canis lupus familiaris
T1/2 10.5 hr Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mast/stem cell growth factor receptor Kit IC50 = 10.0 nM 8.0 Inhibition of cKIT D816H mutant (unknown origin) -
DMS-153 IC50 = 26.0 nM 7.58 Potentiation of etoposide induced DNA damage in human DMS153 cells expressing Ra... -
Mast/stem cell growth factor receptor Kit IC50 = 34.0 nM 7.47 Inhibition of cKIT V560G mutant (unknown origin) -
Platelet-derived growth factor receptor alpha IC50 = 40.0 nM 7.4 Inhibition of PDGFRalpha V561D mutant (unknown origin) -
Platelet-derived growth factor receptor alpha IC50 = 81.0 nM 7.09 Inhibition of PDGFRalpha D842V mutant (unknown origin) -
Mast/stem cell growth factor receptor Kit IC50 = 127.0 nM 6.9 Inhibition of cKIT V654A mutant (unknown origin) -
DMS-114 IC50 = 230.0 nM 6.64 Potentiation of etoposide induced DNA damage in human DMS114 cells expressing Ra... -
DMS-153 IC50 = 240.0 nM 6.62 Potentiation of etoposide induced DNA damage in human DMS153 cells expressing Ra... -
OVCAR-3 IC50 = 900.0 nM 6.05 Cytotoxicity against human OVCAR3 cells assessed as reduction in cell proliferat... -
Mast/stem cell growth factor receptor Kit IC50 = 950.0 nM 6.02 Inhibition of cKIT D816V mutant (unknown origin) -
DMS-114 IC50 = 980.0 nM 6.01 Cytotoxic activity in human DMS114 cells expressing Rad51 -
DMS-114 IC50 = 1980.0 nM 5.7 Potentiation of etoposide induced DNA damage in human DMS114 cells expressing Ra... -
DMS-153 IC50 = 5140.0 nM 5.29 Cytotoxic activity in human DMS153 cells expressing Rad51 -
A549 IC50 = 6300.0 nM 5.2 Potentiation of carboplatin induced DNA damage in human A549 cells expressing Ra... -
A549 IC50 = 6900.0 nM 5.16 Cytotoxic activity in human A549 cells expressing Rad51 -
NCI-H647 IC50 = 7860.0 nM 5.11 Cytotoxic activity in human NCI-H647 cells expressing Rad51 -
Receptor-type tyrosine-protein kinase FLT3 IC50 = 8047.0 nM 5.09 Inhibition of Flt3 D835Y mutant (unknown origin) -
NCI-H647 IC50 = 27030.0 nM 4.57 Potentiation of carboplatin induced DNA damage in human NCI-H647 cells expressin... -
NCI-H647 IC50 = 66300.0 nM 4.18 Potentiation of carboplatin induced DNA damage in human NCI-H647 cells expressin... -

Data from ChEMBL 36 via Core Engine