Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: K3978U665M

Structure

InChI Key FZBAOOQVQXATRL-UHFFFAOYSA-N
Smile N#Cc1cc(Cl)cc(Oc2c(Cl)ccc3c2cnn3Cc2n[nH]c3ncccc23)c1
InChI
InChI=1S/C21H12Cl2N6O/c22-13-6-12(9-24)7-14(8-13)30-20-16-10-26-29(19(16)4-3-17(20)23)11-18-15-2-1-5-25-21(15)28-27-18/h1-8,10H,11H2,(H,25,27,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H12Cl2N6O
Molecular Weight 435.27
AlogP 5.33
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 92.41
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 30.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - 1-1 -

Indications

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

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1939499
DrugBank DB12999
FDA SRS K3978U665M
PubChem 24988948
SureChEMBL SCHEMBL2878768
ZINC ZINC000073240561