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Compound Detail

CHEMBL2164248

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CC(C)NC(=O)CCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2164248
Phase Preclinical
Structure Type MOL
InChI Key FZXVBVRIVMJAMV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

159.2
MW (Da)
0.38
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H13NO3
MW 159.18
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
22724510 10.1021/jm300677j Gamma-butyrobetaine dioxygenase 1
22724510 10.1021/jm300677j Egl nine homolog 1 1
22724510 10.1021/jm300677j Hypoxia-inducible factor 1-alpha inhibitor 1
22724510 10.1021/jm300677j Lysine-specific demethylase 6B 1
22724510 10.1021/jm300677j Lysine-specific demethylase 5C 1
22724510 10.1021/jm300677j Lysine-specific demethylase 4E 1
22724510 10.1021/jm300677j Unchecked 1
22724510 10.1021/jm300677j Histone lysine demethylase PHF8 1
22724510 10.1021/jm300677j Lysine-specific demethylase 2A 1

Data from ChEMBL 36 via Core Engine