Compound Detail

CHEMBL2041933

AZD-7762

Phase I

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Phase I

NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCNC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2041933
Name	AZD-7762
Phase	Phase I
Structure Type	MOL
InChI Key	IAYGCINLNONXHY-LBPRGKRZSA-N

Known Names

Azd 7762 Azd-7762 AZD7762

636

Targets

661

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

362.4

MW (Da)

2.53

ALogP

HBA

HBD

96.2

PSA (Å²)

0.67

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

Extended Properties

Molecular Formula	C17H19FN4O2S
MW	362.43
Aromatic Rings	2
Heavy Atoms	25
NP-Likeness	-1.65

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Serine/threonine-protein kinase Chk1 inhibitor	INHIBITOR	Serine/threonine-protein kinase Chk1	✓	✓

Indications

Neoplasms Neoplasms

Activity Summary

IC50 582 meas. best 10.44

Kd 74 meas. best 8.3

EC50 4 meas. best 8.0

Ki 1 meas. best 8.44

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
EOL1 CHEMBL614489	IC50	10.44	10.44	0.0	1
Kasumi 1 CHEMBL613988	IC50	9.63	9.63	0.2	1
NKM-1 CHEMBL2366133	IC50	9.38	9.38	0.4	1
MV4-11 CHEMBL613835	IC50	9.37	9.37	0.4	1
Serine/threonine-protein kinase Chk1 CHEMBL4630	Ki	8.44	8.44	3.6	1
Serine/threonine-protein kinase Chk1 CHEMBL4630	IC50	8.3	8.244	5.0	5
Serine/threonine-protein kinase Chk1 CHEMBL4630	Kd	8.3	8.3	5.0	1
NCI-H1703 CHEMBL1075522	IC50	8.19	8.19	6.4	1
Serine/threonine-protein kinase SIK2 CHEMBL5699	Kd	8.15	8.15	7.0	1
A204 CHEMBL614514	IC50	8.07	8.07	8.6	1
HT-29 CHEMBL384	EC50	8.0	7.105	10.0	2
Serine/threonine-protein kinase Chk1 CHEMBL4630	EC50	8.0	7.275	10.0	2
CGTH-W-1 CHEMBL2366300	IC50	7.85	7.85	14.2	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Kd	7.64	7.64	23.0	1
MLMA CHEMBL2366211	IC50	7.54	7.54	28.5	1
GOTO CHEMBL2366179	IC50	7.51	7.51	31.2	1
KE-37 CHEMBL2366287	IC50	7.5	7.5	31.4	1
ES4 CHEMBL2366118	IC50	7.49	7.49	32.5	1
ATN-1 CHEMBL2366277	IC50	7.47	7.47	34.2	1
MHH-PREB-1 CHEMBL2366127	IC50	7.46	7.46	34.4	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Kd	7.46	7.46	35.0	1
SW756 CHEMBL1075594	IC50	7.45	7.45	35.8	1
AP2-associated protein kinase 1 CHEMBL3830	Kd	7.44	7.29	36.5	2
CTV-1 CHEMBL2366360	IC50	7.41	7.41	39.0	1
HCC1806 CHEMBL1075457	IC50	7.4	7.4	40.2	1
NEC8 CHEMBL2366340	IC50	7.38	7.38	42.0	1
P12-Ichikawa CHEMBL614660	IC50	7.37	7.37	43.2	1
Serine/threonine-protein kinase SIK3 CHEMBL6149	Kd	7.37	7.37	43.0	1
DEL CHEMBL2366186	IC50	7.34	7.34	45.9	1
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	Kd	7.3	7.3	50.0	1
KM12 CHEMBL614709	IC50	7.29	7.29	51.6	1
Serine/threonine-protein kinase 4 CHEMBL4598	Kd	7.25	7.25	56.0	1
LB1047-RCC CHEMBL2366136	IC50	7.22	7.22	60.2	1
ONS-76 CHEMBL2366068	IC50	7.21	7.21	62.0	1
NOMO-1 CHEMBL2366198	IC50	7.21	7.21	61.1	1
NB14 CHEMBL2366212	IC50	7.21	7.21	61.4	1
LB2241-RCC CHEMBL2366330	IC50	7.21	7.21	61.0	1
HD-MY-Z CHEMBL2366322	IC50	7.2	7.2	62.5	1
G-402 CHEMBL1075446	IC50	7.19	7.19	64.6	1
ES1 CHEMBL2366146	IC50	7.15	7.15	71.5	1
L-363 CHEMBL2366267	IC50	7.13	7.13	73.9	1
A4-Fuk CHEMBL2366356	IC50	7.13	7.13	74.9	1
OC-314 CHEMBL2366288	IC50	7.11	7.11	78.1	1
Mitogen-activated protein kinase kinase kinase 11 CHEMBL2708	Kd	7.09	7.09	81.0	1
Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749	Kd	7.08	7.08	83.0	1
SK-LU-1 CHEMBL614913	IC50	7.08	7.08	84.2	1
Tyrosine-protein kinase Fer CHEMBL3982	Kd	7.07	7.07	85.0	1
Serine/threonine-protein kinase 3 CHEMBL4708	Kd	7.07	7.07	85.0	1
Breakpoint cluster region protein CHEMBL5146	Kd	7.07	7.07	85.0	1
HuP-T3 CHEMBL1075477	IC50	7.06	7.06	87.1	1

Pharmacokinetic Data

Parameter	Value	Units	Species
AUC	906.08	ng.hr.mL-1	Mus musculus
CL	12.8	mL.min-1.kg-1	Rattus norvegicus
CL	35.7	mL.min-1.kg-1	Canis lupus familiaris
CL	50.0	mL.min-1.kg-1	Mus musculus
Fu	0.26	-	Homo sapiens
T1/2	5.2	hr	Rattus norvegicus
T1/2	1.5	hr	Canis lupus familiaris
T1/2	1.2	hr	Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
EOL1	IC50	=	0.03656	nM	10.44	SANGER: Inhibition of human EoL-1-cell cell growth in a cell viability assay.	-
Kasumi 1	IC50	=	0.2339	nM	9.63	SANGER: Inhibition of human KASUMI-1 cell growth in a cell viability assay.	-
NKM-1	IC50	=	0.415	nM	9.38	SANGER: Inhibition of human NKM-1 cell growth in a cell viability assay.	-
MV4-11	IC50	=	0.4245	nM	9.37	SANGER: Inhibition of human MV-4-11 cell growth in a cell viability assay.	-
Serine/threonine-protein kinase Chk1	Ki	=	3.6	nM	8.44	Binding affinity to recombinant human GST tagged Ckh1 phosphorylation expressed ...	18790776
Serine/threonine-protein kinase Chk1	Kd	=	5.0	nM	8.3	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase Chk1	IC50	=	5.0	nM	8.3	Inhibition of human recombinant CHK1 expressed in insect cells using biotinylami...	22551018
Serine/threonine-protein kinase Chk1	IC50	=	5.0	nM	8.3	Inhibition of CHK1 (unknown origin)	29301085
Serine/threonine-protein kinase Chk1	IC50	=	5.0	nM	8.3	Inhibition of recombinant human GST tagged Ckh1 phosphorylation expressed in bac...	18790776
Serine/threonine-protein kinase Chk1	IC50	=	6.0	nM	8.22	Inhibition of CHK1 (unknown origin) using Cdc25 peptide as substrate preincubate...	29684894
NCI-H1703	IC50	=	6.433	nM	8.19	SANGER: Inhibition of human NCI-H1703 cell growth in a cell viability assay.	-
Serine/threonine-protein kinase SIK2	Kd	=	7.0	nM	8.15	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Serine/threonine-protein kinase Chk1	IC50	=	7.89	nM	8.1	Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay	25042558
A204	IC50	=	8.562	nM	8.07	SANGER: Inhibition of human A204 cell growth in a cell viability assay.	-
HT-29	EC50	=	10.0	nM	8.0	Inhibition of camptothecin induced DNA damage in human HT-29 cells assessed as G...	18790776
Serine/threonine-protein kinase Chk1	EC50	=	10.0	nM	8.0	Inhibition of CHK1 in human HT29 cells assessed as abrogation of camptothecin in...	22551018
CGTH-W-1	IC50	=	14.2	nM	7.85	SANGER: Inhibition of human CGTH-W-1 cell growth in a cell viability assay.	-
Proto-oncogene tyrosine-protein kinase receptor Ret	Kd	=	23.0	nM	7.64	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
MLMA	IC50	=	28.49	nM	7.54	SANGER: Inhibition of human MLMA cell growth in a cell viability assay.	-
GOTO	IC50	=	31.2	nM	7.51	SANGER: Inhibition of human GOTO cell growth in a cell viability assay.	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL4689842	HEK-293T	430
-	10.6019/CHEMBL4689842	U2OS	430
-	10.6019/CHEMBL4689842	Fibroblast	427
18790776	10.1158/1535-7163.mct-08-0492	Unchecked	144
22551018	10.1021/jm300025r	Unchecked	28
18790776	10.1158/1535-7163.mct-08-0492	SW-620	24
38116412	10.1021/acsmedchemlett.3c00274	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	10
18790776	10.1158/1535-7163.mct-08-0492	ADMET	8
18790776	10.1158/1535-7163.mct-08-0492	NCI-H460	7
22551018	10.1021/jm300025r	Mus musculus	4
29191878	10.1126/science.aan4368	Unchecked	4
18790776	10.1158/1535-7163.mct-08-0492	HCT-116	4
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
18790776	10.1158/1535-7163.mct-08-0492	Serine/threonine-protein kinase Chk1	3
22551018	10.1021/jm300025r	Serine/threonine-protein kinase Chk1	3
18790776	10.1158/1535-7163.mct-08-0492	HT-29	2
22551018	10.1021/jm300025r	Canis familiaris	2
22551018	10.1021/jm300025r	Rattus norvegicus	2
29684894	10.1016/j.ejmech.2018.03.075	Serine/threonine-protein kinase Chk1	2
38116412	10.1021/acsmedchemlett.3c00274	Serine/threonine-protein kinase Chk1	2

Data from ChEMBL 36 via Core Engine