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Compound Detail

CHEMBL153314

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Clc1ccc(CCNc2ncnc3cc(Cl)ccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL153314
Phase Preclinical
Structure Type MOL
InChI Key INXSFXXPKPNSID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

318.2
MW (Da)
4.59
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.76
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 C16H13Cl2N3
MW 318.21
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.25

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