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Compound Detail

CHEMBL609194

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C[C@H]1OC(n2cc3c4c(ncnc42)N(C)N=C3N)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL609194
Phase Preclinical
Structure Type MOL
InChI Key YTKZASZUFAJINQ-ZMYMDVFVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

304.3
MW (Da)
-0.86
ALogP
9
HBA
3
HBD
122.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N6O3
MW 304.31
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.40

Literature References

PubMed DOI Target Context # Activities
10882371 10.1021/jm990205m HFF 2
10882371 10.1021/jm990205m CEM-SS 2
10882371 10.1021/jm990205m L1210 1
10882371 10.1021/jm990205m KB 1
10882371 10.1021/jm990205m Human immunodeficiency virus type 1 reverse transcriptase 1
10882371 10.1021/jm990205m ADMET 1

Data from ChEMBL 36 via Core Engine