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Compound Detail

CHEMBL494758

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CC(C)Nc1cccnc1N1CCN(C(=O)c2[nH]c3c(C(=O)/C=C(\O)C(=O)O)cccc3c2Cl)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL494758
Phase Preclinical
Structure Type MOL
InChI Key KAELLOAQGLOCNL-UYRXBGFRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

512.0
MW (Da)
3.71
ALogP
7
HBA
4
HBD
138.9
PSA (Ų)
0.21
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26ClN5O5
MW 511.97
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
18314335 10.1016/j.bmc.2008.02.007 Unchecked 2
18314335 10.1016/j.bmc.2008.02.007 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine