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Compound Detail

CHEMBL4088498

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O=C(NC12CC3CC(CC(C3)C1)C2)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)ncn1Cc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4088498
Phase Preclinical
Structure Type MOL
InChI Key QJXVLBHSXVASEO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

613.6
MW (Da)
8.89
ALogP
3
HBA
2
HBD
62.7
PSA (Ų)
0.20
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H31Cl2FN4O
MW 613.56
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
28482147 10.1021/acs.jmedchem.7b00104 E3 ubiquitin-protein ligase Mdm2 1
28482147 10.1021/acs.jmedchem.7b00104 Protein Mdm4 1

Data from ChEMBL 36 via Core Engine