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Compound Detail

CHEMBL258429

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CC(C)(C)c1ccc(NC(=O)Nc2ccccc2Oc2cc(C(=O)O)nn2-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL258429
Phase Preclinical
Structure Type MOL
InChI Key MHEXNTDQSGFDLC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.5
MW (Da)
6.30
ALogP
5
HBA
3
HBD
105.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N4O4
MW 470.53
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.52

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