EcoDrugPlus


Synonyms	GBT-440 GBT440 GTX-011 Gbt440 Oxbryta Voxelotor
Status
Molecule Category	Free-form
UNII	3ZO554A4Q8

Synonyms

GBT-440

GBT440

GTX-011

Gbt440

Oxbryta

Voxelotor

Status

Molecule Category

Free-form

UNII

3ZO554A4Q8


InChI Key	FWCVZAQENIZVMY-UHFFFAOYSA-N
Smiles	CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O
InChI	InChI=1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3

InChI Key

FWCVZAQENIZVMY-UHFFFAOYSA-N

Smiles

CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O

InChI

InChI=1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3

Property Name	Value
Molecular Formula	C19H19N3O3
Molecular Weight	337.38
AlogP	3.62
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	77.24
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C19H19N3O3

Molecular Weight

337.38

AlogP

3.62

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

77.24

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

25.0

Mechanism of Action	Action	Reference
Hemoglobin HbA positive modulator	POSITIVE MODULATOR	PubMed FDA

Mechanism of Action

Action

Reference

Hemoglobin HbA positive modulator

POSITIVE MODULATOR

PubMed FDA

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	56-98

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

56-98

Resources	Reference
ChEMBL	CHEMBL4101807
DrugBank	DB14975
DrugCentral	5356
FDA SRS	3ZO554A4Q8
Guide to Pharmacology	10559
PubChem	71602803
SureChEMBL	SCHEMBL15065529
ZINC	ZINC000145969085

Resources

Reference

ChEMBL

DrugBank

DrugCentral

FDA SRS

Guide to Pharmacology

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

VOXELOTOR

Structure

Physicochemical Descriptors

Pharmacology

Cross References