EcoDrugPlus


Synonyms	Albaconazole UR-9825 W-0027 W0027
Status
Molecule Category	Free-form
UNII	YDW24Y8IAB
EPA CompTox	DTXSID3058244

Synonyms

Albaconazole

UR-9825

W-0027

W0027

Status

Molecule Category

Free-form

UNII

YDW24Y8IAB

EPA CompTox

DTXSID3058244


InChI Key	UHIXWHUVLCAJQL-MPBGBICISA-N
Smiles	C[C@@H](n1cnc2cc(Cl)ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChI	InChI=1S/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1

InChI Key

UHIXWHUVLCAJQL-MPBGBICISA-N

Smiles

C[C@@H](n1cnc2cc(Cl)ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F

InChI

InChI=1S/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1

Property Name	Value
Molecular Formula	C20H16ClF2N5O2
Molecular Weight	431.83
AlogP	3.07
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	85.83
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C20H16ClF2N5O2

Molecular Weight

431.83

AlogP

3.07

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

85.83

Molecular species

NEUTRAL

Aromatic Rings

4.0

Heavy Atoms

30.0

Mechanism of Action	Action	Reference
Lanosterol 14-alpha demethylase inhibitor	INHIBITOR	PubMed

Mechanism of Action

Action

Reference

Lanosterol 14-alpha demethylase inhibitor

INHIBITOR

PubMed

Resources	Reference
ChEMBL	CHEMBL298817
DrugBank	DB12073
FDA SRS	YDW24Y8IAB
PubChem	208952
SureChEMBL	SCHEMBL1262830
ZINC	ZINC000000602086

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

ZINC

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

ALBACONAZOLE

Structure

Physicochemical Descriptors

Pharmacology

Cross References