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Compound Detail

CHEMBL2220123

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Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2cc(F)ccc2Cl)c2ccc(C(=O)O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2220123
Phase Preclinical
Structure Type MOL
InChI Key CSYFJLPYVQTDCQ-MRXNPFEDSA-N
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
2
Publications
0
Known Names

Molecular Properties

483.9
MW (Da)
3.35
ALogP
7
HBA
2
HBD
106.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23ClFN5O3
MW 483.93
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.30

Pharmacokinetic Data

Parameter Value Units Species
AUC 99.9 ng.hr.mL-1 Rattus norvegicus
CL 167.0 mL.min-1.kg-1 Rattus norvegicus
T1/2 8.3 hr Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
25596166 10.1016/j.bmc.2014.12.051 Rattus norvegicus 4
25596166 10.1016/j.bmc.2014.12.051 Liver microsome 2

Data from ChEMBL 36 via Core Engine