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Compound Detail

CHEMBL152929

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Clc1ccc(CCNc2ncnc3ccc(OCc4ccccc4)cc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL152929
Phase Preclinical
Structure Type MOL
InChI Key YUBQSEOSKCEGRO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

389.9
MW (Da)
5.52
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.45
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 C23H20ClN3O
MW 389.89
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.08

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