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Compound Detail

CHEMBL5196810

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Cc1ccc(CN2CC[C@]34OC[C@H](C(C)C)N3C(=O)CC[C@@H]4C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5196810
Phase Preclinical
Structure Type MOL
InChI Key ZVMMRGRHKMYGGP-SFHLNBCPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

342.5
MW (Da)
3.19
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30N2O2
MW 342.48
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.20

Literature References

PubMed DOI Target Context # Activities
36473699 10.1021/acs.jmedchem.2c01493 Mycobacterium tuberculosis 2
36473699 10.1021/acs.jmedchem.2c01493 Type II NADH:quinone oxidoreductase Ndh 2
36473699 10.1021/acs.jmedchem.2c01493 Type II NADH:quinone oxidoreductase NdhA 1
36473699 10.1021/acs.jmedchem.2c01493 No relevant target 1

Data from ChEMBL 36 via Core Engine