Compound Detail

CHEMBL460702

BMS-777607

🧪 Phase II

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🧪 Phase II

CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL460702
Name	BMS-777607
Phase	Phase II
Structure Type	MOL
InChI Key	VNBRGSXVFBYQNN-UHFFFAOYSA-N

Known Names

ASLAN-002 ASLAN002 Bms-777607

Targets

106

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

512.9

MW (Da)

5.19

ALogP

HBA

HBD

108.5

PSA (Å²)

0.35

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Extended Properties

Molecular Formula	C25H19ClF2N4O4
MW	512.90
Aromatic Rings	4
Heavy Atoms	36
NP-Likeness	-1.45

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Hepatocyte growth factor receptor inhibitor	INHIBITOR	Hepatocyte growth factor receptor	✓	✓

Indications

Neoplasms

Activity Summary

IC50 94 meas. best 8.96

Kd 12 meas. best 7.96

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase receptor UFO CHEMBL4895	IC50	8.96	8.5143	1.1	7
Macrophage-stimulating protein receptor CHEMBL2689	IC50	8.74	8.4657	1.8	7
Hepatocyte growth factor receptor CHEMBL3717	IC50	8.59	8.0017	2.6	24
Unchecked CHEMBL612545	IC50	8.47	6.6855	3.4	11
Tyrosine-protein kinase receptor TYRO3 CHEMBL5314	IC50	8.37	7.9825	4.3	4
Hepatocyte growth factor receptor CHEMBL3717	Kd	7.96	7.96	11.0	1
Tyrosine-protein kinase Mer CHEMBL5331	IC50	7.85	7.85	14.0	4
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	7.8	7.7875	16.0	4
Platelet-derived growth factor receptor alpha CHEMBL2007	IC50	7.55	7.55	28.0	1
Epithelial discoidin domain-containing receptor 1 CHEMBL5319	Kd	7.41	7.41	39.0	1
Discoidin domain-containing receptor 2 CHEMBL5122	Kd	7.19	7.19	65.0	1
Aurora kinase B CHEMBL2185	IC50	7.11	7.11	78.0	3
EBC-1 CHEMBL4296411	IC50	7.0	6.895	99.4	2
GTL 16 cell line CHEMBL612708	IC50	7.0	7.0	100.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	7.0	6.78	100.0	3
Tyrosine-protein kinase Lck CHEMBL258	IC50	6.92	6.92	120.0	3
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	6.86	6.7971	138.7	7
Mast/stem cell growth factor receptor Kit CHEMBL1936	IC50	6.84	6.84	144.0	1
NCI-H1993 CHEMBL1075527	IC50	6.82	6.5333	150.0	3
BDNF/NT-3 growth factors receptor CHEMBL4898	IC50	6.72	6.72	190.0	2
BaF3 CHEMBL614524	IC50	6.72	6.72	188.4	1
DU-145 CHEMBL613508	IC50	6.7	6.7	200.0	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Kd	6.64	6.64	228.0	1
High affinity nerve growth factor receptor CHEMBL2815	IC50	6.54	6.54	290.0	2
Serine/threonine-protein kinase PLK4 CHEMBL3788	Kd	6.52	6.52	301.0	1
Tyrosine-protein kinase FRK CHEMBL4223	Kd	6.48	6.48	330.0	1
Tyrosine-protein kinase ABL1 CHEMBL1862	Kd	6.28	6.28	523.0	1
cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101	IC50	6.26	6.26	550.0	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	IC50	6.23	6.23	594.0	1
Aurora kinase B CHEMBL2185	Kd	5.97	5.97	1073.0	1
Tyrosine-protein kinase ABL2 CHEMBL4014	Kd	5.82	5.82	1508.0	1
Tyrosine-protein kinase Lck CHEMBL258	Kd	5.8	5.8	1571.0	1
Dual specificity mitogen-activated protein kinase kinase 5 CHEMBL4948	Kd	5.68	5.68	2085.0	1
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	Kd	5.68	5.68	2075.0	1
3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288	IC50	5.61	5.61	2460.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
AUC	46161.0	ng.hr.mL-1	Mus musculus
AUC	19336.33	ng.hr.mL-1	Rattus norvegicus
AUC	101554.2	ng.hr.mL-1	Canis lupus familiaris
AUC	18977.3	ng.hr.mL-1	Mus musculus
AUC	290814.3	ng.hr.mL-1	Mus musculus
CL	4.4	mL.min-1.kg-1	Mus musculus
CL	12.1	mL.min-1.kg-1	Rattus norvegicus
CL	0.82	mL.min-1.kg-1	Canis lupus familiaris
Cmax	17.6	mg kg-1	Mus musculus
Cmax	8.7	mg kg-1	Rattus norvegicus
Cmax	29.0	mg kg-1	Canis lupus familiaris
Cmax	4500.0	nM	Mus musculus
Cmax	43700.0	nM	Mus musculus
Cmax	4500.0	nM	Mus musculus
Cmax	43700.0	nM	Mus musculus
F	100.0	%	Mus musculus
F	100.0	%	Rattus norvegicus
F	100.0	%	Canis lupus familiaris
T1/2	4.5	hr	Mus musculus
T1/2	4.8	hr	Rattus norvegicus
T1/2	4.9	hr	Canis lupus familiaris
Tmax	0.5	hr	Mus musculus
Tmax	1.7	hr	Rattus norvegicus
Tmax	2.3	hr	Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase receptor UFO	IC50	=	1.1	nM	8.96	Inhibition of AXL kinase	22247788
Tyrosine-protein kinase receptor UFO	IC50	=	1.1	nM	8.96	Inhibition of Axl	19260711
Tyrosine-protein kinase receptor UFO	IC50	=	1.1	nM	8.96	Inhibition of Axl (unknown origin) by kinase profiling assay	23468529
Tyrosine-protein kinase receptor UFO	IC50	=	1.1	nM	8.96	Affinity Biochemical interaction (Enzyme activity assay) EUB0000624a AXL	-
Macrophage-stimulating protein receptor	IC50	=	1.8	nM	8.74	Inhibition of Ron	19260711
Macrophage-stimulating protein receptor	IC50	=	1.8	nM	8.74	Inhibition of RON (unknown origin)	30530193
Macrophage-stimulating protein receptor	IC50	=	1.8	nM	8.74	Affinity Biochemical interaction (Enzyme activity assay) EUB0000624a MST1R	-
Macrophage-stimulating protein receptor	IC50	=	1.8	nM	8.74	Inhibition of RON (unknown origin)	35763868
Macrophage-stimulating protein receptor	IC50	=	1.8	nM	8.74	Inhibition of N-terminal GST-tagged human recombinant RON (979 to 1400(end) resi...	37736180
Macrophage-stimulating protein receptor	IC50	=	1.8	nM	8.74	Inhibition of RON (unknown origin) by kinase profiling assay	23468529
Tyrosine-protein kinase receptor UFO	IC50	=	1.9	nM	8.72	Inhibition of recombinant AXL (unknown origin) by FRET based Z'-LYTE assay	38169272
Hepatocyte growth factor receptor	IC50	=	2.6	nM	8.59	Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 as subs...	27524312
Unchecked	IC50	=	3.4	nM	8.47	Effect on cisplatin resistance in human ZR-75-1 cells with compound-induced poly...	23468529
Hepatocyte growth factor receptor	IC50	=	3.7	nM	8.43	Inhibition of c-Met (unknown origin) using poly Glu:Tyr (4:1) as substrate after...	24792774
Hepatocyte growth factor receptor	IC50	=	3.9	nM	8.41	Affinity Biochemical interaction (Enzyme activity assay) EUB0000624a MET	-
Hepatocyte growth factor receptor	IC50	=	3.9	nM	8.41	Inhibition of c-Met (unknown origin)	35763868
Hepatocyte growth factor receptor	IC50	=	3.9	nM	8.41	Inhibition of MET (unknown origin)	37262349
Hepatocyte growth factor receptor	IC50	=	3.9	nM	8.41	Inhibition of N-terminal GST-tagged human recombinant c-MET (956 to 1390 residue...	39026631
Hepatocyte growth factor receptor	IC50	=	3.9	nM	8.41	Inhibition of MET (unknown origin) by kinase profiling assay	23468529
Hepatocyte growth factor receptor	IC50	=	3.9	nM	8.41	Inhibition of MET	19260711

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL4689842	U2OS	261
-	10.6019/CHEMBL4689842	Fibroblast	260
-	10.6019/CHEMBL4689842	HEK-293T	258
23468529	10.1158/1535-7163.mct-12-1079	T47D	40
23468529	10.1158/1535-7163.mct-12-1079	ZR-75-1	29
19260711	10.1021/jm801586s	Unchecked	25
23468529	10.1158/1535-7163.mct-12-1079	MCF7	22
19260711	10.1021/jm801586s	Mus musculus	15
23468529	10.1158/1535-7163.mct-12-1079	Unchecked	13
-	10.6019/CHEMBL5724558	Colon cancer organoid	12
-	10.6019/CHEMBL5674860	Colon cancer organoid	12
23468529	10.1158/1535-7163.mct-12-1079	Aurora kinase B	11
19260711	10.1021/jm801586s	Rattus norvegicus	8
19260711	10.1021/jm801586s	Canis familiaris	8
24239626	10.1016/j.ejmech.2013.10.037	Tyrosine-protein kinase ABL1	6
-	10.6019/CHEMBL4495565	SARS-CoV-2	6
31531204	10.1021/acsmedchemlett.9b00276	Hepatocyte growth factor receptor	6
-	10.6019/CHEMBL5608141	Colon cancer organoid	6
29191878	10.1126/science.aan4368	Unchecked	5
19260711	10.1021/jm801586s	NON-PROTEIN TARGET	5

Data from ChEMBL 36 via Core Engine