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Compound Detail

CHEMBL4750974

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CC(C)(C)c1cc(NC(=O)Nc2cnc3[nH]c(C(=O)c4cc5cc(O)ccc5[nH]4)cc3c2)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4750974
Phase Preclinical
Structure Type MOL
InChI Key AWLVUOPHRGUEBS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

458.5
MW (Da)
4.91
ALogP
6
HBA
5
HBD
148.9
PSA (Ų)
0.24
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N6O4
MW 458.48
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
32199135 10.1016/j.ejmech.2020.112232 MV4-11 1

Data from ChEMBL 36 via Core Engine