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Compound Detail

CHEMBL3798412

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COC(=O)Cc1cccc(NC(=O)C2(CN)CCN(c3ncnc4[nH]c5c(c34)CC(F)(F)CC5)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3798412
Phase Preclinical
Structure Type MOL
InChI Key GBGCCWYYTLPKCJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

512.6
MW (Da)
2.98
ALogP
7
HBA
3
HBD
126.2
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30F2N6O3
MW 512.56
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.70

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.1667 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00473J LIM domain kinase 2 1
- 10.1039/C5MD00473J Plasma 1

Data from ChEMBL 36 via Core Engine