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Compound Detail

CHEMBL4215450

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COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3nnc4ccccc43)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4215450
Phase Preclinical
Structure Type MOL
InChI Key QNYYNLYQKNPSRP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

411.4
MW (Da)
4.13
ALogP
8
HBA
1
HBD
107.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17N7O2
MW 411.43
Aromatic Rings 6
Heavy Atoms 31
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
28463487 10.1021/acs.jmedchem.7b00193 Bromodomain-containing protein 4 4
28463487 10.1021/acs.jmedchem.7b00193 MV4-11 1
28463487 10.1021/acs.jmedchem.7b00193 MOLM-13 1

Data from ChEMBL 36 via Core Engine