Structure

InChI Key SGOIRFVFHAKUTI-ZCFIWIBFSA-N
Smile C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O
InChI
InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H14N5O4P
Molecular Weight 287.22
AlogP -0.05
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 136.38
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 19.0

Indications

Mesh Heading Maximum Phase Reference
Bone Diseases, Metabolic Phase 4 ClinicalTrials
HIV Infections Phase 4 ClinicalTrials
Acquired Immunodeficiency Syndrome; Communicable Diseases; HIV Infections; Infection Phase 4 ClinicalTrials
HIV Infections Phase 1 ClinicalTrials
Acquired Immunodeficiency Syndrome; HIV Infections; Immunologic Deficiency Syndromes Phase 3 ClinicalTrials
Acquired Immunodeficiency Syndrome; HIV Infections; Immunologic Deficiency Syndromes Phase 4 ClinicalTrials
Syphilis Phase 4 ClinicalTrials
HIV Infections Phase 3 ClinicalTrials
HIV Infections Phase 4 ClinicalTrials
HIV Infections Phase 3 ClinicalTrials
HIV Infections Phase 2 ClinicalTrials
Hepatitis; Hepatitis B Phase 2 ClinicalTrials

Related Entries

MCS

Scaffolds

Mixture

Cross References

Resources Reference
CAS NUMBER 147127-20-6
ChEBI 63625
ChEMBL CHEMBL483
DrugBank DB00300
DrugCentral 2592
EPA CompTox DTXSID9040132
FDA SRS 99YXE507IL
Human Metabolome Database HMDB14445
Guide to Pharmacology 10948
PDB TFO
PharmGKB PA10204
PubChem 464205
SureChEMBL SCHEMBL39724
ZINC ZINC000001543475
CAS NUMBER 147127-20-6
ChEBI 63625
ChEMBL CHEMBL3989702
DrugBank DB00300
FDA SRS 99YXE507IL
Human Metabolome Database HMDB14445
Guide to Pharmacology 10948
PDB TFO
PubChem 464205
SureChEMBL SCHEMBL39724