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Compound Detail

CHEMBL4851154

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NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4851154
Phase Preclinical
Structure Type MOL
InChI Key CZIPNDBBTLBWDR-QORCZRPOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

667.7
MW (Da)
-1.30
ALogP
10
HBA
10
HBD
286.2
PSA (Ų)
0.08
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H37N7O10
MW 667.68
Aromatic Rings 3
Heavy Atoms 48
NP-Likeness 0.12

Literature References

PubMed DOI Target Context # Activities
34510899 10.1021/acs.jmedchem.1c00852 High mobility group protein B1 1

Data from ChEMBL 36 via Core Engine