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Compound Detail

CHEMBL432847

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CN(C)C(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nn[nH]n5)cc4)c3c2)C(C)(C)CC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL432847
Phase Preclinical
Structure Type MOL
InChI Key CSAOSHQXKOMPML-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

601.7
MW (Da)
4.86
ALogP
8
HBA
1
HBD
125.3
PSA (Ų)
0.27
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H35N9O2
MW 601.72
Aromatic Rings 5
Heavy Atoms 45
NP-Likeness -0.96

Data from ChEMBL 36 via Core Engine