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Compound Detail

CHEMBL4589222

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Cc1c(C(=O)NCc2ccccn2)cnn1-c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4589222
Phase Preclinical
Structure Type MOL
InChI Key GNXJKPMLNUGODD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.8
MW (Da)
3.16
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15ClN4O
MW 326.79
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.67

Literature References

PubMed DOI Target Context # Activities
30455146 10.1016/j.bmcl.2018.11.015 C-C chemokine receptor type 1 1

Data from ChEMBL 36 via Core Engine