Compound Detail

CHEMBL484785

CRISABOROLE

💊 Approved Drug

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

Research home View demo workspace

💊 Approved Drug

N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL484785
Name	CRISABOROLE
Phase	Approved
Structure Type	MOL
InChI Key	USZAGAREISWJDP-UHFFFAOYSA-N
Therapeutic	✓ Yes

Known Names

AN-2728 AN2728 Crisaborol Crisaborole Eucrisa Staquis

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

251.1

MW (Da)

Drug Information

Molecule Type	Small molecule
First Approval	2016
Availability	Prescription
Chirality	Achiral

Routes of Administration

Topical

Flags

Natural Product

USAN Stem	-borole
USAN Year	2015

Extended Properties

Molecular Formula	C14H10BNO3
MW	251.05

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Phosphodiesterase 4 inhibitor	INHIBITOR	Phosphodiesterase 4	✓	✓

Indications

Dermatitis, Atopic Eczema Alopecia Areata Dermatitis Psoriasis Scleroderma, Localized Vitiligo

ATC Classification

D11AH06

crisaborole

Level 1: DERMATOLOGICALS

Level 2: OTHER DERMATOLOGICAL PREPARATIONS

Activity Summary

IC50 32 meas. best 7.26

EC50 1 meas. best 6.28

Ki 1 meas. best 6.76

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254	IC50	7.26	7.26	55.0	1
3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275	IC50	7.26	6.576	55.0	5
3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288	IC50	7.26	6.5033	55.0	3
3',5'-cyclic-AMP phosphodiesterase 4C CHEMBL291	IC50	7.26	7.26	55.0	1
Phosphodiesterase 4 CHEMBL2093863	IC50	6.96	6.5267	110.0	3
Unchecked CHEMBL612545	Ki	6.76	6.76	173.0	1
Unchecked CHEMBL612545	IC50	6.31	6.31	490.0	1
Unchecked CHEMBL612545	EC50	6.28	6.28	530.0	1
PBMC CHEMBL613107	IC50	6.27	5.892	540.0	5
Beta-lactamase CHEMBL1641358	IC50	6.17	6.17	670.0	1
High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012	IC50	6.14	6.14	730.0	1
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A CHEMBL3421	IC50	5.21	5.21	6100.0	1
Phosphodiesterase 3 CHEMBL2094125	IC50	5.19	5.19	6400.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
3',5'-cyclic-AMP phosphodiesterase 4D	IC50	=	55.0	nM	7.26	Inhibition of PDE4D7 (unknown origin)	30052440
3',5'-cyclic-AMP phosphodiesterase 4C	IC50	=	55.0	nM	7.26	Inhibition of PDE4C1 (unknown origin)	30052440
3',5'-cyclic-AMP phosphodiesterase 4B	IC50	=	55.0	nM	7.26	Inhibition of PDE4B2 (unknown origin)	30052440
3',5'-cyclic-AMP phosphodiesterase 4B	IC50	=	55.0	nM	7.26	Inhibition of PDE4B1 (unknown origin)	30052440
3',5'-cyclic-AMP phosphodiesterase 4A	IC50	=	55.0	nM	7.26	Inhibition of PDE4A1A (unknown origin)	30052440
3',5'-cyclic-AMP phosphodiesterase 4B	IC50	=	57.2	nM	7.24	Inhibition of PDE4B (unknown origin) assessed as hydrolysis of [3H]-cGMP into [3...	33482600
Phosphodiesterase 4	IC50	=	110.0	nM	6.96	Inhibition of human recombinant PDE4 catalytic domain expressed in baculovirus-i...	19303290
3',5'-cyclic-AMP phosphodiesterase 4B	IC50	=	110.0	nM	6.96	Inhibition of human PDE4 catalytic domain expressed in Escherichia coli	34875836
Unchecked	Ki	=	173.0	nM	6.76	Binding affinity to PDE4 (unknown origin) expressed in Escherichia coli using cA...	37651875
Phosphodiesterase 4	IC50	=	490.0	nM	6.31	Inhibition of PDE4 in human U937 cells assessed as accumulation of [3H]adenosine...	19303290
Unchecked	IC50	=	490.0	nM	6.31	Inhibition of PDE4	20188549
Phosphodiesterase 4	IC50	=	490.0	nM	6.31	Inhibition of PDE4 (unknown origin)	32255344
3',5'-cyclic-AMP phosphodiesterase 4D	IC50	=	490.0	nM	6.31	Inhibition of PDE4D (unknown origin)	35188767
Unchecked	EC50	=	530.0	nM	6.28	Inhibition of LPS-induced TNF-alpha production in human PBMC cells pretreated fo...	38489246
PBMC	IC50	=	540.0	nM	6.27	Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced TN...	19303290
PBMC	IC50	=	610.0	nM	6.21	Antiinflammatory activity in human PBMC assessed as inhibition of phytohemagglut...	19303290
Beta-lactamase	IC50	=	670.0	nM	6.17	Inhibition of Klebsiella pneumoniae KPC-2	33744439
High affinity 3',5'-cyclic-AMP phosphodiesterase 7A	IC50	=	730.0	nM	6.14	Inhibition of human recombinant PDE7A1 expressed in baculovirus-infected insect ...	19303290
PBMC	IC50	=	830.0	nM	6.08	Antiinflammatory activity in human PBMC assessed as inhibition of phytohemagglut...	19303290
3',5'-cyclic-AMP phosphodiesterase 4D	IC50	=	1140.0	nM	5.94	Inhibition of human PDE4D catalytic domain (T86 to S413 residues) expressed in E...	38489246

Literature References

PubMed	DOI	Target Context	# Activities
33482600	10.1016/j.ejmech.2021.113171	Unchecked	9
19303290	10.1016/j.bmcl.2009.03.007	PBMC	7
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
33482600	10.1016/j.ejmech.2021.113171	Mus musculus	4
19303290	10.1016/j.bmcl.2009.03.007	Phosphodiesterase 4	2
31269398	10.1021/acs.jmedchem.9b00735	Unchecked	2
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	2
33482600	10.1016/j.ejmech.2021.113171	ADMET	2
30052440	10.1021/acs.jmedchem.8b00407	3',5'-cyclic-AMP phosphodiesterase 4B	2
37468498	10.1038/s41467-023-40064-9	cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A	2
37468498	10.1038/s41467-023-40064-9	Muscarinic acetylcholine receptor M1	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
37468498	10.1038/s41467-023-40064-9	Prostaglandin G/H synthase 1	2
37468498	10.1038/s41467-023-40064-9	Alpha-1A adrenergic receptor	2
33482600	10.1016/j.ejmech.2021.113171	3',5'-cyclic-AMP phosphodiesterase 4B	2
37468498	10.1038/s41467-023-40064-9	Thromboxane A2 receptor	2
19303290	10.1016/j.bmcl.2009.03.007	High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	1
19303290	10.1016/j.bmcl.2009.03.007	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	1
37651875	10.1016/j.ejmech.2023.115761	Unchecked	1
19303290	10.1016/j.bmcl.2009.03.007	L929	1

Data from ChEMBL 36 via Core Engine