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Compound Detail

CHEMBL5465173

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O=c1n(Cc2cncn2-c2cccc(Cl)c2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F

Basic Information

ChEMBL ID CHEMBL5465173
Phase Preclinical
Structure Type MOL
InChI Key QMCAUGCSTANBKK-SFHVURJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

498.3
MW (Da)
4.18
ALogP
7
HBA
1
HBD
77.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16Cl2F3N5O2
MW 498.29
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5463729 Unchecked 10
- 10.6019/CHEMBL5463729 Insulin receptor 3
- 10.6019/CHEMBL5463729 Vasopressin V2 receptor 3
- 10.6019/CHEMBL5463729 Vasopressin V1a receptor 3
- 10.6019/CHEMBL5463729 MAP kinase-activated protein kinase 2 2
- 10.6019/CHEMBL5463729 Tyrosine-protein kinase HCK 2
- 10.6019/CHEMBL5463729 D(2) dopamine receptor 2
- 10.6019/CHEMBL5463729 Protein kinase C beta type 2
- 10.6019/CHEMBL5463729 Ribosomal protein S6 kinase beta-1 2
- 10.6019/CHEMBL5463729 Vasopressin V1b receptor 2
- 10.6019/CHEMBL5463729 Insulin-like growth factor 1 receptor 2
- 10.6019/CHEMBL5463729 Tyrosine-protein kinase Lck 2
- 10.6019/CHEMBL5463729 cGMP-dependent protein kinase 1 2
- 10.6019/CHEMBL5463729 Cyclin-dependent kinase 5/CDK5 activator 1 2
- 10.6019/CHEMBL5463729 Oxytocin receptor 2
- 10.6019/CHEMBL5463729 Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma 1
- 10.6019/CHEMBL5463729 Type-2 angiotensin II receptor 1
- 10.6019/CHEMBL5463729 Type-1 angiotensin II receptor 1
- 10.6019/CHEMBL5463729 Alpha-2B adrenergic receptor 1
- 10.6019/CHEMBL5463729 Alpha-2A adrenergic receptor 1

Data from ChEMBL 36 via Core Engine