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Compound Detail

CHEMBL153357

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Clc1ccc(CCNc2ncnc3ccc(NCc4ccccc4)cc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL153357
Phase Preclinical
Structure Type MOL
InChI Key UGDUYSCKPJRAIV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.9
MW (Da)
5.55
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21ClN4
MW 388.90
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.32

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