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Compound Detail

CHEMBL1962590

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O=c1c2c3n(c(=O)cc2[nH]n1-c1ccccc1Cl)CCCN(Cc1ccccn1)C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1962590
Phase Preclinical
Structure Type MOL
InChI Key XCEHGPJYDIOHTC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

421.9
MW (Da)
2.93
ALogP
6
HBA
1
HBD
75.9
PSA (Ų)
0.55
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 C22H20ClN5O2
MW 421.89
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.59

Data from ChEMBL 36 via Core Engine