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Compound Detail

CHEMBL536363

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O=C(NCCc1cccc(Cl)c1Cl)c1cnc(N2CCN(c3ccncc3)CC2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL536363
Phase Preclinical
Structure Type MOL
InChI Key JGDODDMNEDXBOK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

490.8
MW (Da)
4.74
ALogP
5
HBA
1
HBD
61.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22Cl3N5O
MW 490.82
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.71

Data from ChEMBL 36 via Core Engine