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Compound Detail

CHEMBL1255078

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COc1ccc(-c2c(-c3cc(N)c(OC)c(OC)c3)ncn2C)cc1F.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1255078
Phase Preclinical
Structure Type MOL
InChI Key WXBARDXKZPDPEA-UHFFFAOYSA-N
Parent Compound CHEMBL1615860
Active Moiety CHEMBL1615860
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
3.50
ALogP
6
HBA
1
HBD
71.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21ClFN3O3
MW 393.85
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
20731355 10.1021/jm100345r NON-PROTEIN TARGET 5
20731355 10.1021/jm100345r HL-60 3
20731355 10.1021/jm100345r 518A2 2
20731355 10.1021/jm100345r HT-29 1

Data from ChEMBL 36 via Core Engine