Trade Names:
Synonyms:
Status: Approved (2007)
Entry Type: Small molecule
Molecule Category: Parent
ATC: J05AJ01
UNII: 22VKV8053U

Structure

InChI Key CZFFBEXEKNGXKS-UHFFFAOYSA-N
Smile Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1
InChI
InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H21FN6O5
Molecular Weight 444.42
AlogP 0.91
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 152.24
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 3 D015658 ClinicalTrials
HIV Infections 3 D015658 ClinicalTrials
Infections 3 D007239 ClinicalTrials
Acquired Immunodeficiency Syndrome 3 D000163 ClinicalTrials
Multiple Sclerosis, Relapsing-Remitting 2 D020529 ClinicalTrials
HTLV-I Infections 2 D015490 ClinicalTrials
Liver Cirrhosis, Biliary 2 D008105 ClinicalTrials
Hepatitis C 1 D006526 ClinicalTrials
Leukemia, Biphenotypic, Acute 1 D015456 ClinicalTrials
Head and Neck Neoplasms 0 D006258 ClinicalTrials
Paraparesis, Tropical Spastic 0 D015493 ClinicalTrials

Related Entries

Salt

Side Effects from Label

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Skin and subcutaneous tissue disorders
20.0
Metabolism and nutrition disorders
15.0
Blood and lymphatic system disorders
10.0
Endocrine disorders
10.0
Immune system disorders
10.0
Investigations
10.0
Hepatobiliary disorders
5.0
Infections and infestations
5.0
Injury, poisoning and procedural complications
5.0
Nervous system disorders
5.0
Psychiatric disorders
5.0

Cross References

Resources Reference
CAS NUMBER 518048-05-0
ChEBI 82960
ChEMBL CHEMBL254316
DrugBank DB06817
DrugCentral 2352
EPA CompTox DTXSID2048660
FDA SRS 22VKV8053U
PDB RLT
PubChem 54671008
SureChEMBL SCHEMBL51817
ZINC ZINC000013831130