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Compound Detail

CHEMBL529434

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Cc1cccc(Nc2nc(N[C@@H]3CCCNC3)nc3cc[nH]c(=O)c23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL529434
Phase Preclinical
Structure Type MOL
InChI Key AHCXENWSIKCTSI-CQSZACIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
2.53
ALogP
6
HBA
4
HBD
94.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N6O
MW 350.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.10

Data from ChEMBL 36 via Core Engine