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Compound Detail

CHEMBL318549

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CCN(CC)Cc1ccc([C@H]2O[C@@H]2[C@@H](C)[C@@H]2C/C=C/C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL318549
Phase Preclinical
Structure Type MOL
InChI Key IRFZETIBOKTSFZ-MQBUIIJTSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

754.4
MW (Da)
5.97
ALogP
9
HBA
2
HBD
135.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H56ClN3O8
MW 754.36
Aromatic Rings 2
Heavy Atoms 53
NP-Likeness 1.20

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
12825938 10.1021/jm0203884 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine