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Compound Detail

CHEMBL1181649

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CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1c(Cl)cc(C#N)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181649
Phase Preclinical
Structure Type MOL
InChI Key QZMBEVWXBUMHKI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
5.29
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.67
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 C21H23Cl2N5O
MW 432.36
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.29

Data from ChEMBL 36 via Core Engine