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Compound Detail

CHEMBL1780113

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

Basic Information

ChEMBL ID CHEMBL1780113
Phase Preclinical
Structure Type MOL
InChI Key PXJBFBGTYKFNJJ-AZUAARDMSA-N

Known Names

PF-0457780801
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
2
Publications
1
Known Names

Molecular Properties

434.6
MW (Da)
2.21
ALogP
7
HBA
1
HBD
80.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H38N4O4
MW 434.58
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -1.37

Pharmacokinetic Data

Parameter Value Units Species
CL 40.6 mL.min-1.g-1 Homo sapiens
T1/2 0.4017 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