Compound Detail

CHEMBL10971

SCH-37370

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CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL10971
Name	SCH-37370
Phase	Preclinical
Structure Type	MOL
InChI Key	FLTBEMVEAFMWDD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

352.9

MW (Da)

4.28

ALogP

HBA

HBD

33.2

PSA (Å²)

0.71

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C21H21ClN2O
MW	352.86
Aromatic Rings	2
Heavy Atoms	25
NP-Likeness	-0.62

Activity Summary

IC50 9 meas. best 7.0

Ki 3 meas. best 6.5

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Histamine H1 receptor CHEMBL231	IC50	7.0	7.0	100.0	1
Cavia porcellus CHEMBL369	IC50	7.0	7.0	100.0	1
Histamine H1 receptor CHEMBL4701	Ki	6.5	6.5	320.0	3
Platelet-activating factor receptor CHEMBL250	IC50	6.21	6.145	610.0	2
Homo sapiens CHEMBL372	IC50	6.21	6.21	610.0	2
Oryctolagus cuniculus CHEMBL374	IC50	6.08	6.08	840.0	1
Protein farnesyltransferase CHEMBL2094108	IC50	4.57	4.57	27000.0	1
Sodium-dependent neutral amino acid transporter B(0)AT2 CHEMBL3351189	IC50	4.26	4.26	54800.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cavia porcellus	IC50	=	100.0	nM	7.0	Tested for concentration required to inhibit H1 histamine -induced guinea pig il...	7914928
Histamine H1 receptor	IC50	=	100.0	nM	7.0	Inhibitory concentration against histamine H1 receptor	16220969
Histamine H1 receptor	Ki	=	320.0	nM	6.5	Binding affinity to histamine H1 receptor in rat brain membranes was evaluated u...	1671420
Histamine H1 receptor	Ki	=	320.0	nM	6.5	Ability to displace [3H]-pyrilamine from H1 receptor in rat brain membrane.	-
Histamine H1 receptor	Ki	=	320.0	nM	6.5	Binding affinity against Histamine H1 receptor using receptor binding assay in r...	9934454
Platelet-activating factor receptor	IC50	=	610.0	nM	6.21	Concentration required to cause 50% inhibition of platelet activating factor (PA...	1671420
Homo sapiens	IC50	=	610.0	nM	6.21	Concentration for inhibition of PAF-induced platelet aggregation in human platel...	-
Homo sapiens	IC50	=	610.0	nM	6.21	In vitro antagonist activity, determined by 50% inhibition of PAF-induced platel...	9934454
Oryctolagus cuniculus	IC50	=	840.0	nM	6.08	Concentration required to inhibit PAF-induced maximum aggregation	7914928
Platelet-activating factor receptor	IC50	=	840.0	nM	6.08	Inhibitory concentration against platelet activating factor receptor	16220969
Protein farnesyltransferase	IC50	=	27000.0	nM	4.57	Inhibitory concentration against farnesyltransferase was determined	15055985
Sodium-dependent neutral amino acid transporter B(0)AT2	IC50	=	54800.0	nM	4.26	Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within ...	25318072

Literature References

PubMed	DOI	Target Context	# Activities
7914928	10.1021/jm00043a009	Rattus norvegicus	4
7914928	10.1021/jm00043a009	Mus musculus	4
1671420	10.1021/jm00105a069	Platelet-activating factor receptor	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
15055985	10.1021/jm0305467	Protein farnesyltransferase	1
1671420	10.1021/jm00105a069	Histamine H1 receptor	1
1671420	10.1021/jm00105a069	Cavia porcellus	1
-	10.1016/S0960-894X(00)80290-5	Homo sapiens	1
-	10.1016/S0960-894X(00)80290-5	Histamine H1 receptor	1
7914928	10.1021/jm00043a009	Oryctolagus cuniculus	1
7914928	10.1021/jm00043a009	Cavia porcellus	1
9934454	10.1016/s0960-894x(98)00626-x	Homo sapiens	1
9934454	10.1016/s0960-894x(98)00626-x	Histamine H1 receptor	1
16220969	10.1021/jm058225d	Platelet-activating factor receptor	1
16220969	10.1021/jm058225d	Histamine H1 receptor	1
25318072	10.1021/jm501086v	Sodium-dependent neutral amino acid transporter B(0)AT2	1

Data from ChEMBL 36 via Core Engine