Compound Detail

CHEMBL4594429

AZD-1390

Phase I

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Phase I

CC(C)n1c(=O)n(C)c2cnc3cc(F)c(-c4ccc(OCCCN5CCCCC5)nc4)cc3c21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4594429
Name	AZD-1390
Phase	Phase I
Structure Type	MOL
InChI Key	VQSZIPCGAGVRRP-UHFFFAOYSA-N

Known Names

Azd 1390 Azd-1390 Azd1390

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

477.6

MW (Da)

4.93

ALogP

HBA

HBD

65.2

PSA (Å²)

0.35

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Extended Properties

Molecular Formula	C27H32FN5O2
MW	477.58
Aromatic Rings	4
Heavy Atoms	35
NP-Likeness	-1.48

Indications

Carcinoma, Non-Small-Cell Lung

Activity Summary

IC50 7 meas. best 10.05

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Serine-protein kinase ATM CHEMBL3797	IC50	10.05	9.3425	0.1	4
Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240	IC50	5.18	5.18	6550.0	1
HCT-116 CHEMBL394	IC50	4.98	4.98	10500.0	1
A549 CHEMBL392	IC50	4.37	4.37	43000.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
CL	16.0	mL.min-1.kg-1	Rattus norvegicus
CL	16.0	mL.min-1.kg-1	Canis lupus familiaris
F	74.0	%	Rattus norvegicus
F	66.0	%	Canis lupus familiaris
Fu	0.04	-	Rattus norvegicus
Fu	0.25	-	Canis lupus familiaris
Fu	0.26	-	Homo sapiens
T1/2	2.4	hr	Rattus norvegicus
T1/2	22.0	hr	Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Serine-protein kinase ATM	IC50	=	0.09	nM	10.05	Inhibition of ATM (unknown origin) assessed as ATM-dependent phosphorylation usi...	33135887
Serine-protein kinase ATM	IC50	=	0.78	nM	9.11	Competitive inhibition of ATM (unknown origin) measured by ATP-competitive bindi...	35231830
Serine-protein kinase ATM	IC50	=	0.78	nM	9.11	Inhibition of ATM (unknown origin)	38955347
Serine-protein kinase ATM	IC50	=	0.7943	nM	9.1	Inhibition of ATM in human HT-29 cells incubated for 2 hrs by Alexa Fluor 488/Ho...	38306388
Voltage-gated inwardly rectifying potassium channel KCNH2	IC50	=	6550.0	nM	5.18	Inhibition of human ERG	33135887
HCT-116	IC50	=	10500.0	nM	4.98	Antiproliferative activity against ATM-proficient human HCT-116 cells assessed a...	36462444
A549	IC50	=	43000.0	nM	4.37	Antiproliferative activity against ATM-proficient human A549 cells assessed as r...	36462444

Literature References

PubMed	DOI	Target Context	# Activities
38306388	10.1021/acs.jmedchem.3c02277	ADMET	17
37312863	10.1021/acsmedchemlett.3c00034	Serine/threonine-protein kinase Chk2	15
37312863	10.1021/acsmedchemlett.3c00034	Serine-protein kinase ATM	10
37312863	10.1021/acsmedchemlett.3c00034	SW-620	6
38306388	10.1021/acs.jmedchem.3c02277	No relevant target	2
33135887	10.1021/acs.jmedchem.0c00766	NUAK family SNF1-like kinase 1	1
33135887	10.1021/acs.jmedchem.0c00766	Serine/threonine-protein kinase Sgk1	1
33135887	10.1021/acs.jmedchem.0c00766	Voltage-gated inwardly rectifying potassium channel KCNH2	1
35183872	10.1016/j.ejmech.2022.114187	HT-29	1
35231830	10.1016/j.ejmech.2022.114196	Serine-protein kinase ATM	1
33135887	10.1021/acs.jmedchem.0c00766	Macrophage colony-stimulating factor 1 receptor	1
33135887	10.1021/acs.jmedchem.0c00766	Unchecked	1
33135887	10.1021/acs.jmedchem.0c00766	Serine/threonine-protein kinase mTOR	1
37130473	10.1016/j.ejmech.2023.115370	HT-29	1
36462444	10.1016/j.ejmech.2022.114945	HT-29	1
36462444	10.1016/j.ejmech.2022.114945	HCT-116	1
38306388	10.1021/acs.jmedchem.3c02277	DNA-dependent protein kinase catalytic subunit	1
38955347	10.1021/acs.jmedchem.4c00113	Serine-protein kinase ATM	1
38634707	10.1021/acs.jmedchem.4c00454	Unchecked	1
33135887	10.1021/acs.jmedchem.0c00766	Serine-protein kinase ATM	1

Data from ChEMBL 36 via Core Engine