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Compound Detail

CHEMBL3217098

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Cl.Cl.N=C(N)c1ccc(CN)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3217098
Phase Preclinical
Structure Type MOL
InChI Key VZQHJODNUJKHBM-UHFFFAOYSA-N
Parent Compound CHEMBL187301
Active Moiety CHEMBL187301
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

149.2
MW (Da)
0.43
ALogP
2
HBA
3
HBD
75.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H13Cl2N3
MW 222.12
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
17958344 10.1021/jm070679i C-X-C chemokine receptor type 4 1

Data from ChEMBL 36 via Core Engine