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Compound Detail

CHEMBL3414927

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Cc1cc(-c2cc(F)c3nnc(C(C)(C)c4ccc5ncc(O)cc5c4)n3c2)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3414927
Phase Preclinical
Structure Type MOL
InChI Key YYNKMAWXIGYWDC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
4
PK Parameters
2
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
4.41
ALogP
7
HBA
1
HBD
89.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18FN5O2
MW 403.42
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.43

Pharmacokinetic Data

Parameter Value Units Species
AUC - - Rattus norvegicus
CL - - Rattus norvegicus
F - % Rattus norvegicus
t1/2 - - Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
25699405 10.1021/jm501913a Rattus norvegicus 5
25699405 10.1021/jm501913a Hepatocyte growth factor receptor 2

Data from ChEMBL 36 via Core Engine