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Compound Detail

CHEMBL4525368

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CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccccc3CC[C@@H]2C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4525368
Phase Preclinical
Structure Type MOL
InChI Key VDINOEOOUILKFN-YHAMSUFESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
2.92
ALogP
5
HBA
2
HBD
108.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N4O5
MW 476.53
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
31910017 10.1021/acs.jmedchem.9b01721 ADMET 3
31910017 10.1021/acs.jmedchem.9b01721 Histone acetyltransferase p300 1
31910017 10.1021/acs.jmedchem.9b01721 MV4-11 1

Data from ChEMBL 36 via Core Engine