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Compound Detail

CHEMBL4162965

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O=C(O)CCNC(=O)c1ncc(C(=O)NC(c2ccccc2)c2ccccc2)c(O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4162965
Phase Preclinical
Structure Type MOL
InChI Key DAEBKDLSEJEOPL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
1.91
ALogP
6
HBA
4
HBD
141.5
PSA (Ų)
0.44
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 C22H20N4O5
MW 420.43
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.00

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.28 hr Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
29712435 10.1021/acs.jmedchem.7b01686 Egl nine homolog 1 1
29712435 10.1021/acs.jmedchem.7b01686 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine