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Compound Detail

CHEMBL395633

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Clc1cccc(Nc2ccc3ccccc3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL395633
Phase Preclinical
Structure Type MOL
InChI Key XEYHIIBYEOWKLL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

253.7
MW (Da)
5.24
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.66
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12ClN
MW 253.73
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
17391963 10.1016/j.bmcl.2007.03.042 Baculoviral IAP repeat-containing protein 5 1

Data from ChEMBL 36 via Core Engine