ADAPALENE

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Search structure


Trade Names	ADAPALENE DIFFERIN
Synonyms	Adapalene CD 271 CD-271 Differin
Status
Molecule Category	Free-form
ATC	D10AD03
UNII	1L4806J2QF
EPA CompTox	DTXSID5046481

Structure


InChI Key	LZCDAPDGXCYOEH-UHFFFAOYSA-N
Smiles	COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2
InChI	InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C28H28O3
Molecular Weight	412.53
AlogP	6.68
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	46.53
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	31.0

Pharmacology

Mechanism of Action	Action	Reference
Retinoic acid receptor agonist	AGONIST	PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group B Nuclear hormone receptor subfamily 1 group B member 1	22	-	-	-	-
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group B Nuclear hormone receptor subfamily 1 group B member 2	2	-	-	34-34	-
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group B Nuclear hormone receptor subfamily 1 group B member 3	3.1	-	-	130-130	-
Unclassified protein	-	-	-	-	98-99

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Escherichia coli	-	-	-	-	98-99
Homo sapiens	2-22	-	-	34-130	-

Target Conservation


Protein: Retinoic acid receptor Description: Retinoic acid receptor alpha Organism : Homo sapiens P10276 ENSG00000131759












Protein: Retinoic acid receptor Description: Retinoic acid receptor beta Organism : Homo sapiens P10826 ENSG00000077092












Protein: Retinoic acid receptor Description: Retinoic acid receptor gamma Organism : Homo sapiens P13631 ENSG00000172819

Cross References

Resources	Reference
ChEBI	31174
ChEMBL	CHEMBL1265
DrugBank	DB00210
DrugCentral	87
FDA SRS	1L4806J2QF
Human Metabolome Database	HMDB0014355
Guide to Pharmacology	5429
KEGG	D01112
PharmGKB	PA448047
PubChem	60164
SureChEMBL	SCHEMBL2747
ZINC	ZINC000003784182

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025