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Compound Detail

CHEMBL1205756

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

Basic Information

ChEMBL ID CHEMBL1205756
Phase Preclinical
Structure Type MOL
InChI Key ZRDDHPPVSIUFDX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

483.0
MW (Da)
6.25
ALogP
5
HBA
1
HBD
79.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31ClN2O4
MW 483.01
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.36

Data from ChEMBL 36 via Core Engine