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Compound Detail

CHEMBL4283388

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COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)NC(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4283388
Phase Preclinical
Structure Type MOL
InChI Key XZXADNVZZMUTAT-GBAXGDPSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

483.7
MW (Da)
6.83
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H49NO3
MW 483.74
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 2.54

Literature References

PubMed DOI Target Context # Activities
29202408 10.1016/j.ejmech.2017.11.035 Mycobacterium tuberculosis 3

Data from ChEMBL 36 via Core Engine