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Compound Detail

CHEMBL1921894

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CC[C@H]1CN(c2ncc(C(N)=O)nc2C)[C@@H](C)CN1C1CCN(C(=O)c2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1921894
Phase Preclinical
Structure Type MOL
InChI Key CZVWXINUAUAKQS-JXFKEZNVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

485.0
MW (Da)
3.13
ALogP
6
HBA
1
HBD
95.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H33ClN6O2
MW 485.03
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
22018463 10.1016/j.bmcl.2011.09.120 C-X-C chemokine receptor type 3 1

Data from ChEMBL 36 via Core Engine