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Compound Detail

CHEMBL1205567

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COc1ccc(NC(=O)NCc2ccc(NC(=O)/C=C/c3c(C(=O)O)[nH]c4cc(Cl)cc(Cl)c34)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205567
Phase Preclinical
Structure Type MOL
InChI Key MDRZBTLQRMJXQF-ZHACJKMWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

553.4
MW (Da)
6.16
ALogP
4
HBA
5
HBD
132.6
PSA (Ų)
0.17
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 C27H22Cl2N4O5
MW 553.40
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.02

Data from ChEMBL 36 via Core Engine