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Compound Detail

CHEMBL370705

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C[C@@]12OC(=O)[C@]1(C(O)[C@@H]1C=CCCC1)NC(=O)[C@@H]2CCCl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL370705
Phase Preclinical
Structure Type MOL
InChI Key NGWSFRIPKNWYAO-BOZRLRFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

313.8
MW (Da)
1.13
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H20ClNO4
MW 313.78
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 2.87

Literature References

PubMed DOI Target Context # Activities
15916417 10.1021/jm048995+ Oryctolagus cuniculus 3
15916417 10.1021/jm048995+ RPMI-8226 1
15916417 10.1021/jm048995+ HEK293 1

Data from ChEMBL 36 via Core Engine