Compound Detail

CHEMBL1626177

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Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1626177
Phase	Preclinical
Structure Type	MOL
InChI Key	DVKQVRZMKBDMDH-UUOKFMHZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

408.1

MW (Da)

-0.05

ALogP

HBA

HBD

154.8

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.11

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphodiesterase 4 CHEMBL2093863	IC50	5.11	4.755	7700.0	2
Unchecked CHEMBL612545	IC50	5.11	4.755	7700.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Phosphodiesterase 4	IC50	=	7700.0	nM	5.11	Inhibition of cAMP phosphodiesterase preparation from bovine heart at a substrat...	6245211
Unchecked	IC50	=	7700.0	nM	5.11	Inhibition of bovine heart PDE assessed as inhibition 8-[3H]-cAMP substrate hydr...	176360
Phosphodiesterase 4	IC50	=	40000.0	nM	4.4	Inhibition of cAMP phosphodiesterase preparation from rabbit lung at a substrate...	6245211
Unchecked	IC50	=	40000.0	nM	4.4	Inhibition of rabbit lung PDE assessed as inhibition 8-[3H]-cAMP substrate hydro...	176360

PubMed	DOI	Target Context	# Activities
176360	10.1021/jm00225a017	Unchecked	4
6245211	10.1021/jm00177a007	Phosphodiesterase 4	3
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
6245211	10.1021/jm00177a007	Unchecked	1
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	1

Data from ChEMBL 36 via Core Engine