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Compound Detail

CHEMBL270074

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CCn1c(C(=O)c2cc(OC)c(OC)c(OC)c2)c(N)c2ccc(OC)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL270074
Phase Preclinical
Structure Type MOL
InChI Key ZKFGUBPGNUZQMW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
3.51
ALogP
7
HBA
1
HBD
84.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N2O5
MW 384.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
18260616 10.1021/jm7011547 L1210 1
18260616 10.1021/jm7011547 FM3A 1
18260616 10.1021/jm7011547 NON-PROTEIN TARGET 1
18260616 10.1021/jm7011547 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine