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Compound Detail

CHEMBL153371

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CC(C)[C@H](NC(=O)[C@@H](NC(=O)c1ncn2c(=O)n(CCCl)nnc12)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL153371
Phase Preclinical
Structure Type MOL
InChI Key GXKGFPLQMYBEAL-VRKREXBASA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

657.1
MW (Da)
-4.12
ALogP
13
HBA
8
HBD
303.4
PSA (Ų)
0.03
QED
3
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H37ClN12O8
MW 657.09
Aromatic Rings 2
Heavy Atoms 45
NP-Likeness -0.45

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
12459014 10.1021/jm020936d NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine