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Compound Detail

CHEMBL39438

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COC(=O)c1ccc2[nH]c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL39438
Phase Preclinical
Structure Type MOL
InChI Key LJUCSTHCESGDAX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
5.32
ALogP
4
HBA
2
HBD
75.2
PSA (Ų)
0.59
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N2O3
MW 380.49
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.62

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11412977 10.1016/s0960-894x(01)00024-5 KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) 1

Data from ChEMBL 36 via Core Engine