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Compound Detail

CHEMBL153167

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COc1nc(NCCc2ccc(Cl)cc2)c2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL153167
Phase Preclinical
Structure Type MOL
InChI Key UDJHQGBTWTYQSN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

313.8
MW (Da)
3.95
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16ClN3O
MW 313.79
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
11229767 10.1016/s0960-894x(00)00718-6 ADMET 2
11229767 10.1016/s0960-894x(00)00718-6 T-cell 1

Data from ChEMBL 36 via Core Engine