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Compound Detail

CHEMBL4091953

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Cc1ccc(NC(=O)c2cccc3c2OCCO3)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4091953
Phase Preclinical
Structure Type MOL
InChI Key BQURSSYYGUBULA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

552.6
MW (Da)
5.29
ALogP
7
HBA
2
HBD
102.0
PSA (Ų)
0.31
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H32N4O5
MW 552.63
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -1.70

Literature References

PubMed DOI Target Context # Activities
28004573 10.1021/acs.jmedchem.6b01055 SK-OV-3 2
28004573 10.1021/acs.jmedchem.6b01055 Heat shock factor protein 1 2
30613326 10.1021/acsmedchemlett.8b00364 Pirin 2
30613326 10.1021/acsmedchemlett.8b00364 Serine/threonine-protein kinase B-raf 2
28004573 10.1021/acs.jmedchem.6b01055 WM 266-4 1

Data from ChEMBL 36 via Core Engine