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Compound Detail

CHEMBL568823

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CNc1nc(NCc2ccc(NC(=O)c3ccc(C)cc3)cc2)c2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL568823
Phase Preclinical
Structure Type MOL
InChI Key YAZBQMNCOQXTIS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
4.84
ALogP
5
HBA
3
HBD
78.9
PSA (Ų)
0.43
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 C24H23N5O
MW 397.48
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.46

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.2667 hr Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
20025292 10.1021/jm901370m NON-PROTEIN TARGET 3
20025292 10.1021/jm901370m No relevant target 1
20025292 10.1021/jm901370m Liver microsomes 1
20025292 10.1021/jm901370m ADMET 1

Data from ChEMBL 36 via Core Engine