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Compound Detail

CHEMBL4642687

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CCn1cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4642687
Phase Preclinical
Structure Type MOL
InChI Key BXCRILHJBYRDCD-XODNFHPESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

517.6
MW (Da)
4.11
ALogP
9
HBA
1
HBD
90.2
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27N5O4S
MW 517.61
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -2.05

Literature References

PubMed DOI Target Context # Activities
32479084 10.1021/acs.jmedchem.0c00506 Autotaxin 1

Data from ChEMBL 36 via Core Engine