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Compound Detail

CHEMBL1207064

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CCCCC1=NC(Cl)=C(C(=O)OCC)C(c2ccccc2)N1Cc1ccc(-c2ccccc2C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207064
Phase Preclinical
Structure Type MOL
InChI Key CXBDONQYBUGBPV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

531.0
MW (Da)
7.21
ALogP
5
HBA
1
HBD
79.2
PSA (Ų)
0.22
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H31ClN2O4
MW 531.05
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.61

Data from ChEMBL 36 via Core Engine