ABT-639

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0G7D0CQ88I

Structure
InChI Key AGPIHNZOZNKRGT-CYBMUJFWSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neuralgia 2 D009437 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1235560-28-7
ChEMBL CHEMBL3590674
DrugBank DB15055
FDA SRS 0G7D0CQ88I
Guide to Pharmacology 7721
PubChem 46851313
SureChEMBL SCHEMBL400073
ZINC ZINC000113741875
CONTENTS