EcoDrugPlus


Synonyms	Mk-6592 VX-667
Status
Molecule Category	Free-form

Synonyms

Mk-6592

VX-667

Status

Molecule Category

Free-form


InChI Key	SLUHYAXFRJQTGB-KRWDZBQOSA-N
Smiles	Cc1cc(Nc2cc(N3CC(F)(C4CC4)C3)nc(O[C@H]3CCN(C(=O)c4cc(Cl)ccc4F)C3)n2)n[nH]1
InChI	InChI=1S/C25H26ClF2N7O2/c1-14-8-21(33-32-14)29-20-10-22(35-12-25(28,13-35)15-2-3-15)31-24(30-20)37-17-6-7-34(11-17)23(36)18-9-16(26)4-5-19(18)27/h4-5,8-10,15,17H,2-3,6-7,11-13H2,1H3,(H2,29,30,31,32,33)/t17-/m0/s1

InChI Key

SLUHYAXFRJQTGB-KRWDZBQOSA-N

Smiles

Cc1cc(Nc2cc(N3CC(F)(C4CC4)C3)nc(O[C@H]3CCN(C(=O)c4cc(Cl)ccc4F)C3)n2)n[nH]1

InChI

InChI=1S/C25H26ClF2N7O2/c1-14-8-21(33-32-14)29-20-10-22(35-12-25(28,13-35)15-2-3-15)31-24(30-20)37-17-6-7-34(11-17)23(36)18-9-16(26)4-5-19(18)27/h4-5,8-10,15,17H,2-3,6-7,11-13H2,1H3,(H2,29,30,31,32,33)/t17-/m0/s1

Property Name	Value
Molecular Formula	C25H26ClF2N7O2
Molecular Weight	529.98
AlogP	4.28
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	99.27
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	37.0

Property Name

Value

Molecular Formula

C25H26ClF2N7O2

Molecular Weight

529.98

AlogP

4.28

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

7.0

Polar Surface Area

99.27

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

37.0

Mechanism of Action	Action	Reference
Serine/threonine-protein kinase Aurora inhibitor	INHIBITOR	PubMed Other

Mechanism of Action

Action

Reference

Serine/threonine-protein kinase Aurora inhibitor

INHIBITOR

PubMed Other

Resources	Reference
ChEMBL	CHEMBL3545378
SureChEMBL	SCHEMBL1824081
ZINC	ZINC000043153387

Resources

Reference

ChEMBL

CHEMBL3545378

SureChEMBL

SCHEMBL1824081

ZINC

ZINC000043153387

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

MK-6592

Structure

Physicochemical Descriptors

Pharmacology

Cross References