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Compound Detail

CHEMBL2170958

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Cc1nnc2ncc(-c3ccc(F)cc3)nn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2170958
Phase Preclinical
Structure Type MOL
InChI Key RPESHMNOVVZIAA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

229.2
MW (Da)
1.63
ALogP
5
HBA
0
HBD
56.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H8FN5
MW 229.22
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -2.16

Pharmacokinetic Data

Parameter Value Units Species
CL 24.9 mL.min-1.g-1 Homo sapiens

Literature References

PubMed DOI Target Context # Activities
22924734 10.1021/jm300967g Hepatocyte growth factor receptor 2
22924734 10.1021/jm300967g Hepatocyte 1
22924734 10.1021/jm300967g Liver microsomes 1

Data from ChEMBL 36 via Core Engine