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Compound Detail

CHEMBL1780119

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COC[C@H]1C[C@@H](C(=O)NCC2CCOCC2)CN(Cc2nc(N3CCOCC3)oc2C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1780119
Phase Preclinical
Structure Type MOL
InChI Key BLRRJOIQOOKMOD-VQTJNVASSA-N

Known Names

PF-0458368101
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
2
Publications
1
Known Names

Molecular Properties

450.6
MW (Da)
1.45
ALogP
8
HBA
1
HBD
89.3
PSA (Ų)
0.64
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 C23H38N4O5
MW 450.58
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -1.29

Pharmacokinetic Data

Parameter Value Units Species
CL 19.3 mL.min-1.g-1 Homo sapiens
T1/2 0.845 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
21459572 10.1016/j.bmcl.2011.03.022 Liver microsomes 2
21459572 10.1016/j.bmcl.2011.03.022 High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B 1

Data from ChEMBL 36 via Core Engine