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Compound Detail

CHEMBL4290450

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C[C@@H](Nc1nc(Nc2ccnc(C3(C#N)CC3)c2)nc(-c2cccc(Cl)n2)n1)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4290450
Phase Preclinical
Structure Type MOL
InChI Key YPMMASFCPXGGFB-CYBMUJFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.9
MW (Da)
4.49
ALogP
8
HBA
2
HBD
112.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21ClN8
MW 432.92
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.04

Data from ChEMBL 36 via Core Engine