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Compound Detail

CHEMBL4465619

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CC(=O)N[C@H]1CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)COCCOCCNC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4465619
Phase Preclinical
Structure Type MOL
InChI Key OXNABCWTYZHGMH-SDHOMARFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

567.6
MW (Da)
-0.77
ALogP
7
HBA
5
HBD
164.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H37N5O7
MW 567.64
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness 0.37

Literature References

PubMed DOI Target Context # Activities
31658413 10.1021/acs.jmedchem.9b00798 Unchecked 4

Data from ChEMBL 36 via Core Engine