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Compound Detail

CHEMBL4636965

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C[C@H](c1ccc(Cl)cc1Cl)n1nc(C(=O)O)c2ncc(N3CC([C@H]4CCCN(CCO)C4)C3)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4636965
Phase Preclinical
Structure Type MOL
InChI Key FOGCVBOYLNANGG-CABCVRRESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

519.4
MW (Da)
3.58
ALogP
8
HBA
2
HBD
107.6
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28Cl2N6O3
MW 519.43
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
32667798 10.1021/acs.jmedchem.0c00988 C-C chemokine receptor type 4 2

Data from ChEMBL 36 via Core Engine