None is not found in the database.

ENASIDENIB


Synonyms	AG-221 Ag 221 CC-90007 Free Base Enasidenib
Status
Molecule Category	Free-form
ATC	L01XX59
UNII	3T1SS4E7AG

Structure


InChI Key	DYLUUSLLRIQKOE-UHFFFAOYSA-N
Smiles	CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1
InChI	InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H17F6N7O
Molecular Weight	473.38
AlogP	4.29
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	108.74
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	33.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	9-362	-	-	10.8-57.2

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	4-677	-	-	10.8-90

Cross References

Resources	Reference
ChEBI	145374
ChEMBL	CHEMBL3989908
DrugBank	DB13874
DrugCentral	5251
FDA SRS	3T1SS4E7AG
Guide to Pharmacology	8960
PDB	69Q
PubChem	89683805
SureChEMBL	SCHEMBL15102202
ZINC	ZINC000222731806

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