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Compound Detail

CHEMBL4291618

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COc1ccc(CCNC(=O)C(=O)NC2CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4291618
Phase Preclinical
Structure Type MOL
InChI Key UQFHSGRWGALHFD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
4
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
0.63
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18N2O3
MW 262.31
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.07

Pharmacokinetic Data

Parameter Value Units Species
T1/2 48.0 hr Homo sapiens
T1/2 4.7 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
29869888 10.1021/acs.jmedchem.8b00052 NCI-H1155 4
29869888 10.1021/acs.jmedchem.8b00052 ADMET 2
29869888 10.1021/acs.jmedchem.8b00052 Cytochrome P450 4F11 1
29869888 10.1021/acs.jmedchem.8b00052 NCI-H2122 1

Data from ChEMBL 36 via Core Engine