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Compound Detail

CHEMBL572066

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CC1=C(CCCNC(=O)NCCO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL572066
Phase Preclinical
Structure Type MOL
InChI Key FQFBTUUUVXQBNJ-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
1.74
ALogP
4
HBA
4
HBD
98.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H28N2O4
MW 360.45
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 1.53

Literature References

PubMed DOI Target Context # Activities
20067264 10.1021/jm901384s NON-PROTEIN TARGET 1
20067264 10.1021/jm901384s ADMET 1
20067264 10.1021/jm901384s Unchecked 1

Data from ChEMBL 36 via Core Engine