Compound Detail

CHEMBL603830

DAXALIPRAM

🧪 Phase II

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🧪 Phase II

CCCOc1cc([C@]2(C)CNC(=O)O2)ccc1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL603830
Name	DAXALIPRAM
Phase	Phase II
Structure Type	MOL
InChI Key	PCCPERGCFKIYIS-AWEZNQCLSA-N

Daxalipram Mesopram SH-636 SH636 ZK-117137 ZK117137 [r]-mesopram

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

265.3

MW (Da)

2.44

ALogP

HBA

HBD

56.8

PSA (Å²)

0.89

QED

Ro5 Violations

Rot. Bonds

Molecule Type	Small molecule
Chirality	Single Enantiomer

Natural Product

IC50 4 meas. best 6.38

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275	IC50	6.38	6.38	420.0	2
Zika virus CHEMBL4296612	IC50	6.11	6.11	769.1	1
3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288	IC50	5.96	5.96	1100.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
3',5'-cyclic-AMP phosphodiesterase 4B	IC50	=	420.0	nM	6.38	Inhibition of human PDE4B	20188577
3',5'-cyclic-AMP phosphodiesterase 4B	IC50	=	420.0	nM	6.38	Inhibition of human His-tagged PDE4B catalytic domain expressed in Escherichia c...	26908025
Zika virus	IC50	=	769.1	nM	6.11	Antiviral activity against Zika virus infected in human A549 cells preincubated ...	29258771
3',5'-cyclic-AMP phosphodiesterase 4D	IC50	=	1100.0	nM	5.96	Inhibition of human PDE4D catalytic domain using [3H]-cAMP or [3H]-cGMP incubate...	-

PubMed	DOI	Target Context	# Activities
29258771	10.1016/j.bmcl.2017.12.019	A549	4
20188577	10.1016/j.bmc.2010.01.070	3',5'-cyclic-AMP phosphodiesterase 4B	1
29258771	10.1016/j.bmcl.2017.12.019	Zika virus	1
26908025	10.1021/acs.jmedchem.5b01813	3',5'-cyclic-AMP phosphodiesterase 4B	1

Data from ChEMBL 36 via Core Engine