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Compound Detail

CHEMBL1706728

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CCC1Nc2ncnc(N3CCN(c4ccccn4)CC3)c2N(Cc2ccc(Br)cc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1706728
Phase Preclinical
Structure Type MOL
InChI Key RVGFSIRBFMASHM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

508.4
MW (Da)
3.70
ALogP
7
HBA
1
HBD
77.5
PSA (Ų)
0.56
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26BrN7O
MW 508.42
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.20

Data from ChEMBL 36 via Core Engine