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Compound Detail

CHEMBL255455

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Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(C(C)(C)CO)cc2)n(-c2ccccc2Cl)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255455
Phase Preclinical
Structure Type MOL
InChI Key QIZLSZKZSXFDSA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

491.0
MW (Da)
6.54
ALogP
5
HBA
3
HBD
88.4
PSA (Ų)
0.27
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 C27H27ClN4O3
MW 490.99
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.64

Literature References

PubMed DOI Target Context # Activities
18445527 10.1016/j.bmcl.2008.04.028 P2Y purinoceptor 1 1

Data from ChEMBL 36 via Core Engine