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Compound Detail

CHEMBL4161887

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Cc1ccc(C2(CNC(=O)[C@@H](Cc3ccc(C#N)cc3)NC(=O)Nc3ccc(F)cc3)CC2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4161887
Phase Preclinical
Structure Type MOL
InChI Key WTPANDPDZQSZHX-RUZDIDTESA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
3
Publications
0
Known Names

Molecular Properties

488.5
MW (Da)
4.73
ALogP
3
HBA
3
HBD
94.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26F2N4O2
MW 488.54
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.48

Pharmacokinetic Data

Parameter Value Units Species
CL 10.04 mL.min-1.g-1 Rattus norvegicus
T1/2 0.9833 hr Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
29102463 10.1016/j.ejmech.2017.09.023 N-formyl peptide receptor 2 4
29102463 10.1016/j.ejmech.2017.09.023 ADMET 3
29102463 10.1016/j.ejmech.2017.09.023 fMet-Leu-Phe receptor 2

Data from ChEMBL 36 via Core Engine