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Compound Detail

CHEMBL4202848

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CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCC)cc(C(=O)O)c2)o1)[C@@H](CC)N(O)C=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4202848
Phase Preclinical
Structure Type MOL
InChI Key MPNREWYPAXFODC-NHCUHLMSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

517.6
MW (Da)
3.67
ALogP
7
HBA
4
HBD
158.4
PSA (Ų)
0.09
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H35N3O8
MW 517.58
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.27

Literature References

PubMed DOI Target Context # Activities
30034610 10.1021/acsmedchemlett.8b00173 Bone morphogenetic protein 1 1

Data from ChEMBL 36 via Core Engine