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Compound Detail

CHEMBL3718607

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CCCCC(CC)CNC(=O)c1ccc(N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3718607
Phase Preclinical
Structure Type MOL
InChI Key BQALDZRCHZATLQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

471.4
MW (Da)
5.16
ALogP
4
HBA
3
HBD
82.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27BrN4O2
MW 471.40
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.86

Data from ChEMBL 36 via Core Engine