RO-24-7429

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: MLW2GKK8LI

Structure
InChI Key LEAKQIXYSHIHCW-UHFFFAOYSA-N
Smile CNC1=Nc2ccc(Cl)cc2C(c2ccc[nH]2)=NC1
InChI
InChI=1S/C14H13ClN4/c1-16-13-8-18-14(12-3-2-6-17-12)10-7-9(15)4-5-11(10)19-13/h2-7,17H,8H2,1H3,(H,16,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H13ClN4
Molecular Weight 272.74
AlogP 2.77
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 52.54
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Human immunodeficiency virus type 1 Tat protein antagonist ClinicalTrials PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 1 D015658 ClinicalTrials

Cross References

Resources Reference
ChEBI 93522
ChEMBL CHEMBL2360841
DrugBank DB16062
EPA CompTox DTXSID20161021
FDA SRS MLW2GKK8LI
PubChem 135422895
SureChEMBL SCHEMBL2050520
ZINC ZINC000000005304
CONTENTS