ABT-639

/static/temp/default.svg

Search structure


Synonyms	Abt-639 Abt-639 free base
Status
Molecule Category	Free-form
UNII	0G7D0CQ88I

Structure


InChI Key	AGPIHNZOZNKRGT-CYBMUJFWSA-N
Smiles	O=C(c1cc(S(=O)(=O)Nc2ccccc2F)c(F)cc1Cl)N1CCN2CCC[C@@H]2C1
InChI	InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H20ClF2N3O3S
Molecular Weight	455.91
AlogP	3.34
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	69.72
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	30.0

Pharmacology

Mechanism of Action	Action	Reference
Voltage-gated T-type calcium channel alpha-1H subunit blocker	BLOCKER	PubMed PubMed

Target Conservation


Protein: Voltage-gated T-type calcium channel alpha-1H subunit Description: Voltage-dependent T-type calcium channel subunit alpha-1H Organism : Homo sapiens O95180 ENSG00000196557

Cross References

Resources	Reference
ChEMBL	CHEMBL3590674
DrugBank	DB15055
FDA SRS	0G7D0CQ88I
Guide to Pharmacology	7721
PubChem	46851313
SureChEMBL	SCHEMBL400073
ZINC	ZINC000113741875

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...

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

Last update: Monday, 3 November 2025