Structure

InChI Key RHWKPHLQXYSBKR-BMIGLBTASA-N
Smile C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21
InChI
InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H19F2N3O5
Molecular Weight 419.38
AlogP 1.35
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 100.87
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 3 D015658 ClinicalTrials
HIV Infections 3 D015658 ClinicalTrials
Acquired Immunodeficiency Syndrome 3 D000163 ClinicalTrials
Infections 3 D007239 ClinicalTrials
Amyotrophic Lateral Sclerosis 1 D000690 ClinicalTrials

Related Entries

MCS

Salt
Mixture

Side Effects from Label

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
20.48
Congenital, familial and genetic disorders
9.64
Investigations
8.43
Infections and infestations
7.23
Gastrointestinal disorders
6.02
Injury, poisoning and procedural complications
6.02
Metabolism and nutrition disorders
6.02
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
6.02
Pregnancy, puerperium and perinatal conditions
6.02
Psychiatric disorders
4.82
Skin and subcutaneous tissue disorders
4.82
Eye disorders
3.61
Blood and lymphatic system disorders
2.41
Musculoskeletal and connective tissue disorders
2.41

Cross References

Resources Reference
CAS NUMBER 1051375-16-6
ChEBI 76010
ChEMBL CHEMBL1229211
DrugBank DB08930
DrugCentral 4805
FDA SRS DKO1W9H7M1
Guide to Pharmacology 7365
PDB DLU
PharmGKB PA166114961
PubChem 54726191
SureChEMBL SCHEMBL82071
ZINC ZINC000058581064