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Compound Detail

CHEMBL4218415

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

Basic Information

ChEMBL ID CHEMBL4218415
Phase Preclinical
Structure Type MOL
InChI Key XMDFFLGMSCXCQA-XPWALMASSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

632.7
MW (Da)
2.63
ALogP
9
HBA
6
HBD
224.8
PSA (Ų)
0.04
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H40N4O11
MW 632.67
Aromatic Rings 2
Heavy Atoms 45
NP-Likeness -0.25

Literature References

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

Data from ChEMBL 36 via Core Engine