EcoDrugPlus


Synonyms	AG-881 Ag-881 Vorasidenib
Status
Molecule Category	Free-form
UNII	789Q85GA8P

Synonyms

AG-881

Ag-881

Vorasidenib

Status

Molecule Category

Free-form

UNII

789Q85GA8P


InChI Key	QCZAWDGAVJMPTA-RNFRBKRXSA-N
Smiles	C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F
InChI	InChI=1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/s1

InChI Key

QCZAWDGAVJMPTA-RNFRBKRXSA-N

Smiles

C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F

InChI

InChI=1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/s1

Property Name	Value
Molecular Formula	C14H13ClF6N6
Molecular Weight	414.74
AlogP	4.31
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	75.62
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C14H13ClF6N6

Molecular Weight

414.74

AlogP

4.31

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

75.62

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

27.0

Mechanism of Action	Action	Reference
IDH1/IDH2 inhibitor	INHIBITOR	PubMed

Mechanism of Action

Action

Reference

IDH1/IDH2 inhibitor

INHIBITOR

PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	0.04-130	-	-	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme Oxidoreductase

0.04-130

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	0.04-130	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

0.04-130

Resources	Reference
ChEMBL	CHEMBL4279047
FDA SRS	789Q85GA8P
Guide to Pharmacology	10663
PDB	9UO
SureChEMBL	SCHEMBL16393139

Resources

Reference

ChEMBL

CHEMBL4279047

FDA SRS

789Q85GA8P

Guide to Pharmacology

10663

PDB

9UO

SureChEMBL

SCHEMBL16393139

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

VORASIDENIB

Structure

Physicochemical Descriptors

Pharmacology

Cross References