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Compound Detail

CHEMBL4460616

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Cn1c(N[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)nc2cc[nH]c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4460616
Phase Preclinical
Structure Type MOL
InChI Key DPPPEDJFLKEXSB-OSYLJGHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
2.87
ALogP
5
HBA
2
HBD
66.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N5O
MW 363.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
30998845 10.1021/acs.jmedchem.9b00096 Histone acetyltransferase KAT2B 2

Data from ChEMBL 36 via Core Engine