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Compound Detail

CHEMBL5798563

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NCC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1

Basic Information

ChEMBL ID CHEMBL5798563
Phase Preclinical
Structure Type MOL
InChI Key RTMJCNWUUFZBCR-SFHVURJKSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.9
MW (Da)
2.40
ALogP
6
HBA
4
HBD
120.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27ClN6O2
MW 442.95
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.59

Activity Summary

IC50 3 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
IC50 8.89 8.89 1.3 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine