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Compound Detail

CHEMBL2010804

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CC(C)C[C@@H](C(=O)NCC(=O)OCc1ccccc1)N(Cc1ccccc1)C(=O)C(CI)CI
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2010804
Phase Preclinical
Structure Type MOL
InChI Key IACRMHOARBRZSV-QHCPKHFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

690.4
MW (Da)
4.78
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.19
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32I2N2O4
MW 690.36
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
22128876 10.1021/jm201359d NON-PROTEIN TARGET 1
22128876 10.1021/jm201359d EMT6 1
22128876 10.1021/jm201359d Unchecked 1

Data from ChEMBL 36 via Core Engine