Compound Detail

CHEMBL5773913

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CC(C)C(c1ccc(C(F)(F)F)c(F)c1)n1nc(CO)c2c(=O)[nH]c(N(C)C)nc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5773913
Phase	Preclinical
Structure Type	MOL
InChI Key	NKJWESUASVOVSJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

427.4

MW (Da)

3.08

ALogP

HBA

HBD

87.0

PSA (Å²)

0.61

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

Ki 8 meas. best 10.77

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652	Ki	10.77	10.1375	0.0	4
Unchecked CHEMBL612545	Ki	10.6	10.035	0.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
cGMP-dependent 3',5'-cyclic phosphodiesterase	Ki	=	0.017	nM	10.77	Lab B PDE2 assay: Performed by Lab B. The activity of the compounds in accordanc...	-
Unchecked	Ki	=	0.025	nM	10.6	Lab B PDE2 assay: Performed by Lab B. The activity of the compounds in accordanc...	-
Unchecked	Ki	=	0.063	nM	10.2	Lab B PDE2 assay: Performed by Lab B. The activity of the compounds in accordanc...	-
cGMP-dependent 3',5'-cyclic phosphodiesterase	Ki	=	0.068	nM	10.17	Lab B PDE2 assay: Performed by Lab B. The activity of the compounds in accordanc...	-
cGMP-dependent 3',5'-cyclic phosphodiesterase	Ki	=	0.13	nM	9.89	Lab B PDE2 assay: Performed by Lab B. The activity of the compounds in accordanc...	-
Unchecked	Ki	=	0.16	nM	9.8	Lab B PDE2 assay: Performed by Lab B. The activity of the compounds in accordanc...	-
cGMP-dependent 3',5'-cyclic phosphodiesterase	Ki	=	0.19	nM	9.72	Lab B PDE2 assay: Performed by Lab B. The activity of the compounds in accordanc...	-
Unchecked	Ki	=	0.29	nM	9.54	Lab B PDE2 assay: Performed by Lab B. The activity of the compounds in accordanc...	-

Data from ChEMBL 36 via Core Engine