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Compound Detail

CHEMBL4099063

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CC1(C)CC(NC(=O)Nc2cccc(C#N)c2)c2cc(NC=O)ccc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4099063
Phase Preclinical
Structure Type MOL
InChI Key QPGNBWWOEZPWBZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
3.55
ALogP
4
HBA
3
HBD
103.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N4O3
MW 364.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
28475330 10.1021/acs.jmedchem.7b00533 Hs 683 1
28475330 10.1021/acs.jmedchem.7b00533 T98G 1
28475330 10.1021/acs.jmedchem.7b00533 Unchecked 1

Data from ChEMBL 36 via Core Engine