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Compound Detail

CHEMBL3985646

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O=C1C2C=CC=CC2C(c2ccc(Cl)c(Cl)c2)N1c1ccc2[nH]cnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3985646
Phase Preclinical
Structure Type MOL
InChI Key WXHJJOMLGDNNSJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.3
MW (Da)
5.32
ALogP
2
HBA
1
HBD
49.0
PSA (Ų)
0.64
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15Cl2N3O
MW 396.28
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.61

Data from ChEMBL 36 via Core Engine