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Compound Detail

CHEMBL231167

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CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CC(C)C)NC(=O)c1cccc(O)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL231167
Phase Preclinical
Structure Type MOL
InChI Key UYWZXPNZOMVPHP-DRWUBOAHSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

591.8
MW (Da)
4.45
ALogP
6
HBA
3
HBD
125.0
PSA (Ų)
0.25
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H45N3O6
MW 591.75
Aromatic Rings 2
Heavy Atoms 43
NP-Likeness -0.09

Pharmacokinetic Data

Parameter Value Units Species
T1/2 6.0 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
17291631 10.1016/j.ejmech.2006.12.008 Unchecked 3
17291631 10.1016/j.ejmech.2006.12.008 Plasma 1

Data from ChEMBL 36 via Core Engine