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Compound Detail

CHEMBL3547181

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Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N/CC23CCCN2CCC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3547181
Phase Preclinical
Structure Type MOL
InChI Key XCUBJOLYBROHRY-LSWMGQQCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

554.5
MW (Da)
7.71
ALogP
5
HBA
1
HBD
45.5
PSA (Ų)
0.23
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H29Cl2N5
MW 554.53
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.84

Data from ChEMBL 36 via Core Engine