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Compound Detail

CHEMBL4646623

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CCn1cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c2cc(-c3nc(CN4CCC(C)CC4)cs3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4646623
Phase Preclinical
Structure Type MOL
InChI Key XPHLOCCIHAJNPE-AMVVHIIESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

529.7
MW (Da)
5.51
ALogP
8
HBA
1
HBD
81.0
PSA (Ų)
0.25
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31N5O3S
MW 529.67
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.88

Literature References

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

Data from ChEMBL 36 via Core Engine