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Compound Detail

CHEMBL4301924

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CC1(c2ccc(Br)cc2)NC(=O)N(CC(O)CN2CCN(c3ccccc3C#N)CC2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301924
Phase Preclinical
Structure Type MOL
InChI Key ZBIGKUPTILUSNW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

512.4
MW (Da)
2.27
ALogP
6
HBA
2
HBD
99.9
PSA (Ų)
0.58
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26BrN5O3
MW 512.41
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.51

Data from ChEMBL 36 via Core Engine