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Compound Detail

CHEMBL1830975

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O=c1ccn([C@H]2CC[C@@H](COP(=O)(O)Nc3ccccn3)O2)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1830975
Phase Preclinical
Structure Type MOL
InChI Key REHAJVZIZGNLQZ-GXFFZTMASA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

368.3
MW (Da)
0.84
ALogP
7
HBA
3
HBD
135.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17N4O6P
MW 368.29
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.35

Pharmacokinetic Data

Parameter Value Units Species
T1/2 22.1 hr -

Literature References

PubMed DOI Target Context # Activities
21834513 10.1021/jm2001103 Human immunodeficiency virus 1 3
21834513 10.1021/jm2001103 No relevant target 1
21834513 10.1021/jm2001103 ADMET 1
21834513 10.1021/jm2001103 Unchecked 1

Data from ChEMBL 36 via Core Engine